Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi2Sr3Fe2O9]m[Bi4Sr6Fe2O16] family of compounds
Authors:Elcoro, Luis; Perez, Olivier; Perez-Mato, J. M.; Petricek, Vaclav
Journal:Acta Crystallographica, Section B 68 341-355 (2012)
DOI:https://doi.org/10.1107/S0108768112018095
B-IncStrDB ID: 6372EfECT1 Entry date: 2012-06-27 Last revision: 2024-01-02
I
Chemical data
Structural Formula Sum: Bi12 Fe10 O52 Sr18 [ Help ]
Formula weight: 5475.3 Da [ Help ]
Crystallographic data and experimental details
Crystal system: monoclinic [ Help ]
Superspace group name: X2/m(α0γ)0s [ Help ]
Symmetry operations of the superspace group: (Show/hide table) [ Help ]
| Operation code | Operation in algebraic form |
|---|---|
| 1 | x1,x2,x3,x4 |
| 2 | -x1,x2,-x3,-x4+1/2 |
| 3 | -x1,-x2,-x3,-x4 |
| 4 | x1,-x2,x3,x4+1/2 |
| 5 | x1+1/2,x2+1/2,x3+1/2,x4+1/2 |
| 6 | -x1+1/2,x2+1/2,-x3+1/2,-x4 |
| 7 | -x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2 |
| 8 | x1+1/2,-x2+1/2,x3+1/2,x4 |
a: 3.6174 Å [ Help ]
b: 5.48 Å [ Help ]
c: 3.4641 Å [ Help ]
α: 90 ° [ Help ]
β: 81.2438 ° [ Help ]
γ: 90 ° [ Help ]
Volume: 67.86972 Å3 [ Help ]
Modulation dimension: 1 [ Help ]
Measured independent wave vectors: (Show/hide table) [ Help ]
| Wave vector id | q_x | q_y | q_z |
|---|---|---|---|
| 1 | 0.275000 | 0.000000 | -0.300000 |
Z: 8 [ Help ]
Cell measurement temperature: 293 K [ Help ]
μ: 9851.698 mm-1 [ Help ]
Refinement details
Total nb. of reflections: 2674 [ Help ]
Nb. of observed reflections: 2671 [ Help ]
Intense reflections threshold: I>3σ(I) [ Help ]
Refinement based on: F [ Help ]
R(obs): 0.0964 [ Help ]
wR(obs): 0.1208 [ Help ]
R(all): 0.0964 [ Help ]
wR(all): 0.1208 [ Help ]
S(all): 3.00 [ Help ]
S(obs): 3.00 [ Help ]
Nb. of reflections: 2674 [ Help ]
Nb. of parameters: 131 [ Help ]
Number of constraints: 789 [ Help ]
Weighting scheme: sigma [ Help ]
Weighting scheme remarks: w=1/(σ2(F)+0.0001F2) [ Help ]
Δ/σ(max): 0.0000 [ Help ]
Δ/σ(mean): 0.0000 [ Help ]
Extinction method: none [ Help ]
Structural Information
Average Structure: (Show/hide table) [ Help ]
| Atom site label | Atom symbol | x | y | z | ADP type | Uiso/equiv | Symmetry multiplicity | Occupancy | Coords from (d)iffraction or (c)alculated | Coords restraints or constraints | Disordered cluster | Disordered group |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sr | Sr | 0 | 0 | 0 | Uani | 0.0097(3) | 4 | 0.225 | d | ? | ? | ? |
| Bi | Bi | 0 | 0 | 0 | Uani | 0.0097(3) | 8 | 0.075 | d | ? | ? | ? |
| Fe | Fe | 0 | 0 | 0 | Uani | 0.0097(3) | 4 | 0.125 | d | ? | ? | ? |
| O1 | O | 0 | 0.451(3) | 0 | Uiso | 0.024(3) | 4 | 0.375 | d | ? | ? | ? |
| O2 | O | 0.238(4) | 0.243(3) | 0.266(4) | Uiso | 0.018(3) | 8 | 0.1375 | d | ? | ? | ? |
ADP components: (Show/hide table) [ Help ]
| Atom site label | Atom site symbol | U11 | U22 | U33 | U12 | U13 | U23 |
|---|---|---|---|---|---|---|---|
| Sr | Sr | 0.0113(5) | 0.0084(7) | 0.0098(5) | 0 | -0.0032(3) | 0 |
| Bi | Bi | 0.0113(5) | 0.0084(7) | 0.0098(5) | 0 | -0.0032(3) | 0 |
| Fe | Fe | 0.0113(5) | 0.0084(7) | 0.0098(5) | 0 | -0.0032(3) | 0 |
Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): (Show/hide table) [ Help ]
| Wave vector code | q_1 |
|---|---|
| 1 | 1 |
| 2 | 2 |
| 3 | 3 |
| 4 | 4 |
| 5 | 5 |
| 6 | 6 |
| 7 | 7 |
| 8 | 8 |
| 9 | 9 |
| 10 | 10 |
| 11 | 11 |
| 12 | 12 |
| 13 | 13 |
| 14 | 14 |
| 15 | 15 |
| 16 | 16 |
| 17 | 17 |
| 18 | 18 |
| 19 | 19 |
| 20 | 20 |
| 21 | 21 |
| 22 | 22 |
| 23 | 23 |
| 24 | 24 |
| 25 | 25 |
| 26 | 26 |
| 27 | 27 |
| 28 | 28 |
| 29 | 29 |
| 30 | 30 |
| 31 | 31 |
| 32 | 32 |
| 33 | 33 |
| 34 | 34 |
| 35 | 35 |
| 36 | 36 |
Occupation crenel coefficients: (Show/hide table) [ Help ]
| Atom site label | Center (x0) | Width |
|---|---|---|
| Sr | 0.75 | 0.225 |
| Bi | 0.9 | 0.075 |
| Fe | 0 | 0.125 |
| O1 | 0.25 | 0.375 |
| O2 | -0.0080(15) | 0.1375 |
Definition of the displacive (translational) Fourier series: (Show/hide table) [ Help ]
| Modulation code | Atom site label | Displacement axis | Wave vector code |
|---|---|---|---|
| Srx1 | Sr | x | 1 |
| Sry1 | Sr | y | 1 |
| Srz1 | Sr | z | 1 |
| Srx2 | Sr | x | 2 |
| Sry2 | Sr | y | 2 |
| Srz2 | Sr | z | 2 |
| Srx3 | Sr | x | 3 |
| Sry3 | Sr | y | 3 |
| Srz3 | Sr | z | 3 |
| Srx4 | Sr | x | 4 |
| Sry4 | Sr | y | 4 |
| Srz4 | Sr | z | 4 |
| Srx5 | Sr | x | 5 |
| Sry5 | Sr | y | 5 |
| Srz5 | Sr | z | 5 |
| Srx6 | Sr | x | 6 |
| Sry6 | Sr | y | 6 |
| Srz6 | Sr | z | 6 |
| Srx7 | Sr | x | 7 |
| Sry7 | Sr | y | 7 |
| Srz7 | Sr | z | 7 |
| Srx8 | Sr | x | 8 |
| Sry8 | Sr | y | 8 |
| Srz8 | Sr | z | 8 |
| Srx9 | Sr | x | 9 |
| Sry9 | Sr | y | 9 |
| Srz9 | Sr | z | 9 |
| Srx10 | Sr | x | 10 |
| Sry10 | Sr | y | 10 |
| Srz10 | Sr | z | 10 |
| Srx11 | Sr | x | 11 |
| Sry11 | Sr | y | 11 |
| Srz11 | Sr | z | 11 |
| Srx12 | Sr | x | 12 |
| Sry12 | Sr | y | 12 |
| Srz12 | Sr | z | 12 |
| Srx13 | Sr | x | 13 |
| Sry13 | Sr | y | 13 |
| Srz13 | Sr | z | 13 |
| Srx14 | Sr | x | 14 |
| Sry14 | Sr | y | 14 |
| Srz14 | Sr | z | 14 |
| Srx15 | Sr | x | 15 |
| Sry15 | Sr | y | 15 |
| Srz15 | Sr | z | 15 |
| Srx16 | Sr | x | 16 |
| Sry16 | Sr | y | 16 |
| Srz16 | Sr | z | 16 |
| Srx17 | Sr | x | 17 |
| Sry17 | Sr | y | 17 |
| Srz17 | Sr | z | 17 |
| Srx18 | Sr | x | 18 |
| Sry18 | Sr | y | 18 |
| Srz18 | Sr | z | 18 |
| Srx19 | Sr | x | 19 |
| Sry19 | Sr | y | 19 |
| Srz19 | Sr | z | 19 |
| Srx20 | Sr | x | 20 |
| Sry20 | Sr | y | 20 |
| Srz20 | Sr | z | 20 |
| Srx21 | Sr | x | 21 |
| Sry21 | Sr | y | 21 |
| Srz21 | Sr | z | 21 |
| Srx22 | Sr | x | 22 |
| Sry22 | Sr | y | 22 |
| Srz22 | Sr | z | 22 |
| Srx23 | Sr | x | 23 |
| Sry23 | Sr | y | 23 |
| Srz23 | Sr | z | 23 |
| Srx24 | Sr | x | 24 |
| Sry24 | Sr | y | 24 |
| Srz24 | Sr | z | 24 |
| Srx25 | Sr | x | 25 |
| Sry25 | Sr | y | 25 |
| Srz25 | Sr | z | 25 |
| Srx26 | Sr | x | 26 |
| Sry26 | Sr | y | 26 |
| Srz26 | Sr | z | 26 |
| Srx27 | Sr | x | 27 |
| Sry27 | Sr | y | 27 |
| Srz27 | Sr | z | 27 |
| Srx28 | Sr | x | 28 |
| Sry28 | Sr | y | 28 |
| Srz28 | Sr | z | 28 |
| Srx29 | Sr | x | 29 |
| Sry29 | Sr | y | 29 |
| Srz29 | Sr | z | 29 |
| Srx30 | Sr | x | 30 |
| Sry30 | Sr | y | 30 |
| Srz30 | Sr | z | 30 |
| Srx31 | Sr | x | 31 |
| Sry31 | Sr | y | 31 |
| Srz31 | Sr | z | 31 |
| Srx32 | Sr | x | 32 |
| Sry32 | Sr | y | 32 |
| Srz32 | Sr | z | 32 |
| Srx33 | Sr | x | 33 |
| Sry33 | Sr | y | 33 |
| Srz33 | Sr | z | 33 |
| Srx34 | Sr | x | 34 |
| Sry34 | Sr | y | 34 |
| Srz34 | Sr | z | 34 |
| Srx35 | Sr | x | 35 |
| Sry35 | Sr | y | 35 |
| Srz35 | Sr | z | 35 |
| Srx36 | Sr | x | 36 |
| Sry36 | Sr | y | 36 |
| Srz36 | Sr | z | 36 |
| Bix1 | Bi | x | 1 |
| Biy1 | Bi | y | 1 |
| Biz1 | Bi | z | 1 |
| Bix2 | Bi | x | 2 |
| Biy2 | Bi | y | 2 |
| Biz2 | Bi | z | 2 |
| Bix3 | Bi | x | 3 |
| Biy3 | Bi | y | 3 |
| Biz3 | Bi | z | 3 |
| Bix4 | Bi | x | 4 |
| Biy4 | Bi | y | 4 |
| Biz4 | Bi | z | 4 |
| Bix5 | Bi | x | 5 |
| Biy5 | Bi | y | 5 |
| Biz5 | Bi | z | 5 |
| Bix6 | Bi | x | 6 |
| Biy6 | Bi | y | 6 |
| Biz6 | Bi | z | 6 |
| Bix7 | Bi | x | 7 |
| Biy7 | Bi | y | 7 |
| Biz7 | Bi | z | 7 |
| Bix8 | Bi | x | 8 |
| Biy8 | Bi | y | 8 |
| Biz8 | Bi | z | 8 |
| Bix9 | Bi | x | 9 |
| Biy9 | Bi | y | 9 |
| Biz9 | Bi | z | 9 |
| Bix10 | Bi | x | 10 |
| Biy10 | Bi | y | 10 |
| Biz10 | Bi | z | 10 |
| Bix11 | Bi | x | 11 |
| Biy11 | Bi | y | 11 |
| Biz11 | Bi | z | 11 |
| Bix12 | Bi | x | 12 |
| Biy12 | Bi | y | 12 |
| Biz12 | Bi | z | 12 |
| Bix13 | Bi | x | 13 |
| Biy13 | Bi | y | 13 |
| Biz13 | Bi | z | 13 |
| Bix14 | Bi | x | 14 |
| Biy14 | Bi | y | 14 |
| Biz14 | Bi | z | 14 |
| Bix15 | Bi | x | 15 |
| Biy15 | Bi | y | 15 |
| Biz15 | Bi | z | 15 |
| Bix16 | Bi | x | 16 |
| Biy16 | Bi | y | 16 |
| Biz16 | Bi | z | 16 |
| Bix17 | Bi | x | 17 |
| Biy17 | Bi | y | 17 |
| Biz17 | Bi | z | 17 |
| Bix18 | Bi | x | 18 |
| Biy18 | Bi | y | 18 |
| Biz18 | Bi | z | 18 |
| Bix19 | Bi | x | 19 |
| Biy19 | Bi | y | 19 |
| Biz19 | Bi | z | 19 |
| Bix20 | Bi | x | 20 |
| Biy20 | Bi | y | 20 |
| Biz20 | Bi | z | 20 |
| Bix21 | Bi | x | 21 |
| Biy21 | Bi | y | 21 |
| Biz21 | Bi | z | 21 |
| Bix22 | Bi | x | 22 |
| Biy22 | Bi | y | 22 |
| Biz22 | Bi | z | 22 |
| Bix23 | Bi | x | 23 |
| Biy23 | Bi | y | 23 |
| Biz23 | Bi | z | 23 |
| Bix24 | Bi | x | 24 |
| Biy24 | Bi | y | 24 |
| Biz24 | Bi | z | 24 |
| Bix25 | Bi | x | 25 |
| Biy25 | Bi | y | 25 |
| Biz25 | Bi | z | 25 |
| Bix26 | Bi | x | 26 |
| Biy26 | Bi | y | 26 |
| Biz26 | Bi | z | 26 |
| Bix27 | Bi | x | 27 |
| Biy27 | Bi | y | 27 |
| Biz27 | Bi | z | 27 |
| Bix28 | Bi | x | 28 |
| Biy28 | Bi | y | 28 |
| Biz28 | Bi | z | 28 |
| Bix29 | Bi | x | 29 |
| Biy29 | Bi | y | 29 |
| Biz29 | Bi | z | 29 |
| Bix30 | Bi | x | 30 |
| Biy30 | Bi | y | 30 |
| Biz30 | Bi | z | 30 |
| Bix31 | Bi | x | 31 |
| Biy31 | Bi | y | 31 |
| Biz31 | Bi | z | 31 |
| Bix32 | Bi | x | 32 |
| Biy32 | Bi | y | 32 |
| Biz32 | Bi | z | 32 |
| Bix33 | Bi | x | 33 |
| Biy33 | Bi | y | 33 |
| Biz33 | Bi | z | 33 |
| Bix34 | Bi | x | 34 |
| Biy34 | Bi | y | 34 |
| Biz34 | Bi | z | 34 |
| Bix35 | Bi | x | 35 |
| Biy35 | Bi | y | 35 |
| Biz35 | Bi | z | 35 |
| Bix36 | Bi | x | 36 |
| Biy36 | Bi | y | 36 |
| Biz36 | Bi | z | 36 |
| Fex1 | Fe | x | 1 |
| Fey1 | Fe | y | 1 |
| Fez1 | Fe | z | 1 |
| Fex2 | Fe | x | 2 |
| Fey2 | Fe | y | 2 |
| Fez2 | Fe | z | 2 |
| Fex3 | Fe | x | 3 |
| Fey3 | Fe | y | 3 |
| Fez3 | Fe | z | 3 |
| Fex4 | Fe | x | 4 |
| Fey4 | Fe | y | 4 |
| Fez4 | Fe | z | 4 |
| Fex5 | Fe | x | 5 |
| Fey5 | Fe | y | 5 |
| Fez5 | Fe | z | 5 |
| Fex6 | Fe | x | 6 |
| Fey6 | Fe | y | 6 |
| Fez6 | Fe | z | 6 |
| Fex7 | Fe | x | 7 |
| Fey7 | Fe | y | 7 |
| Fez7 | Fe | z | 7 |
| Fex8 | Fe | x | 8 |
| Fey8 | Fe | y | 8 |
| Fez8 | Fe | z | 8 |
| Fex9 | Fe | x | 9 |
| Fey9 | Fe | y | 9 |
| Fez9 | Fe | z | 9 |
| Fex10 | Fe | x | 10 |
| Fey10 | Fe | y | 10 |
| Fez10 | Fe | z | 10 |
| Fex11 | Fe | x | 11 |
| Fey11 | Fe | y | 11 |
| Fez11 | Fe | z | 11 |
| Fex12 | Fe | x | 12 |
| Fey12 | Fe | y | 12 |
| Fez12 | Fe | z | 12 |
| Fex13 | Fe | x | 13 |
| Fey13 | Fe | y | 13 |
| Fez13 | Fe | z | 13 |
| Fex14 | Fe | x | 14 |
| Fey14 | Fe | y | 14 |
| Fez14 | Fe | z | 14 |
| Fex15 | Fe | x | 15 |
| Fey15 | Fe | y | 15 |
| Fez15 | Fe | z | 15 |
| Fex16 | Fe | x | 16 |
| Fey16 | Fe | y | 16 |
| Fez16 | Fe | z | 16 |
| Fex17 | Fe | x | 17 |
| Fey17 | Fe | y | 17 |
| Fez17 | Fe | z | 17 |
| Fex18 | Fe | x | 18 |
| Fey18 | Fe | y | 18 |
| Fez18 | Fe | z | 18 |
| Fex19 | Fe | x | 19 |
| Fey19 | Fe | y | 19 |
| Fez19 | Fe | z | 19 |
| Fex20 | Fe | x | 20 |
| Fey20 | Fe | y | 20 |
| Fez20 | Fe | z | 20 |
| Fex21 | Fe | x | 21 |
| Fey21 | Fe | y | 21 |
| Fez21 | Fe | z | 21 |
| Fex22 | Fe | x | 22 |
| Fey22 | Fe | y | 22 |
| Fez22 | Fe | z | 22 |
| Fex23 | Fe | x | 23 |
| Fey23 | Fe | y | 23 |
| Fez23 | Fe | z | 23 |
| Fex24 | Fe | x | 24 |
| Fey24 | Fe | y | 24 |
| Fez24 | Fe | z | 24 |
| Fex25 | Fe | x | 25 |
| Fey25 | Fe | y | 25 |
| Fez25 | Fe | z | 25 |
| Fex26 | Fe | x | 26 |
| Fey26 | Fe | y | 26 |
| Fez26 | Fe | z | 26 |
| Fex27 | Fe | x | 27 |
| Fey27 | Fe | y | 27 |
| Fez27 | Fe | z | 27 |
| Fex28 | Fe | x | 28 |
| Fey28 | Fe | y | 28 |
| Fez28 | Fe | z | 28 |
| Fex29 | Fe | x | 29 |
| Fey29 | Fe | y | 29 |
| Fez29 | Fe | z | 29 |
| Fex30 | Fe | x | 30 |
| Fey30 | Fe | y | 30 |
| Fez30 | Fe | z | 30 |
| Fex31 | Fe | x | 31 |
| Fey31 | Fe | y | 31 |
| Fez31 | Fe | z | 31 |
| Fex32 | Fe | x | 32 |
| Fey32 | Fe | y | 32 |
| Fez32 | Fe | z | 32 |
| Fex33 | Fe | x | 33 |
| Fey33 | Fe | y | 33 |
| Fez33 | Fe | z | 33 |
| Fex34 | Fe | x | 34 |
| Fey34 | Fe | y | 34 |
| Fez34 | Fe | z | 34 |
| Fex35 | Fe | x | 35 |
| Fey35 | Fe | y | 35 |
| Fez35 | Fe | z | 35 |
| Fex36 | Fe | x | 36 |
| Fey36 | Fe | y | 36 |
| Fez36 | Fe | z | 36 |
Displacive (translational) Fourier coefficients: (Show/hide table) [ Help ]
| Modulation code | Cosine coefficient | Sine coefficient |
|---|---|---|
| Srx1 | 0 | 0 |
| Sry1 | 0 | 0.0077(3) |
| Srz1 | 0 | 0 |
| Srx2 | 0 | -0.0078(3) |
| Sry2 | 0 | 0 |
| Srz2 | 0 | -0.0344(4) |
| Srx3 | 0 | 0 |
| Sry3 | 0 | 0.0092(4) |
| Srz3 | 0 | 0 |
| Srx4 | 0 | -0.1896(4) |
| Sry4 | 0 | 0 |
| Srz4 | 0 | 0.0866(4) |
| Srx5 | 0 | 0 |
| Sry5 | 0 | -0.0046(4) |
| Srz5 | 0 | 0 |
| Srx6 | 0 | 0.0427(4) |
| Sry6 | 0 | 0 |
| Srz6 | 0 | -0.0242(5) |
| Srx7 | 0 | 0 |
| Sry7 | 0 | -0.0071(4) |
| Srz7 | 0 | 0 |
| Srx8 | 0 | 0.0328(4) |
| Sry8 | 0 | 0 |
| Srz8 | 0 | -0.0062(5) |
| Srx9 | 0 | 0 |
| Sry9 | 0 | -0.0017(4) |
| Srz9 | 0 | 0 |
| Srx10 | 0 | -0.0475(4) |
| Sry10 | 0 | 0 |
| Srz10 | 0 | 0.0733(4) |
| Srx11 | 0 | 0 |
| Sry11 | 0 | 0.0043(4) |
| Srz11 | 0 | 0 |
| Srx12 | 0 | -0.0081(4) |
| Sry12 | 0 | 0 |
| Srz12 | 0 | 0.0104(5) |
| Srx13 | 0 | 0 |
| Sry13 | 0 | 0.0015(5) |
| Srz13 | 0 | 0 |
| Srx14 | 0 | -0.0090(4) |
| Sry14 | 0 | 0 |
| Srz14 | 0 | -0.0049(5) |
| Srx15 | 0 | 0 |
| Sry15 | 0 | -0.0026(5) |
| Srz15 | 0 | 0 |
| Srx16 | 0 | 0.0008(4) |
| Sry16 | 0 | 0 |
| Srz16 | 0 | -0.0078(5) |
| Srx17 | 0 | 0 |
| Sry17 | 0 | 0.0002(6) |
| Srz17 | 0 | 0 |
| Srx18 | 0 | -0.0229(4) |
| Sry18 | 0 | 0 |
| Srz18 | 0 | 0.0101(4) |
| Srx19 | 0 | 0 |
| Sry19 | 0 | 0.0008(8) |
| Srz19 | 0 | 0 |
| Srx20 | 0 | 0.0094(4) |
| Sry20 | 0 | 0 |
| Srz20 | 0 | -0.0032(5) |
| Srx21 | 0 | 0 |
| Sry21 | 0 | -0.0003(8) |
| Srz21 | 0 | 0 |
| Srx22 | 0 | 0.0060(5) |
| Sry22 | 0 | 0 |
| Srz22 | 0 | -0.0018(5) |
| Srx23 | 0 | 0 |
| Sry23 | 0 | 0.0010(9) |
| Srz23 | 0 | 0 |
| Srx24 | 0 | -0.0076(4) |
| Sry24 | 0 | 0 |
| Srz24 | 0 | 0.0115(5) |
| Srx25 | 0 | 0 |
| Sry25 | 0 | 0.0002(8) |
| Srz25 | 0 | 0 |
| Srx26 | 0 | -0.0045(4) |
| Sry26 | 0 | 0 |
| Srz26 | 0 | 0.0054(5) |
| Srx27 | 0 | 0 |
| Sry27 | 0 | -0.0002(12) |
| Srz27 | 0 | 0 |
| Srx28 | 0 | 0.0007(5) |
| Sry28 | 0 | 0 |
| Srz28 | 0 | -0.0027(5) |
| Srx29 | 0 | 0 |
| Sry29 | 0 | 0.0008(12) |
| Srz29 | 0 | 0 |
| Srx30 | 0 | 0.0005(5) |
| Sry30 | 0 | 0 |
| Srz30 | 0 | -0.0007(6) |
| Srx31 | 0 | 0 |
| Sry31 | 0 | 0.0004(11) |
| Srz31 | 0 | 0 |
| Srx32 | 0 | -0.0045(5) |
| Sry32 | 0 | 0 |
| Srz32 | 0 | 0.0026(6) |
| Srx33 | 0 | 0 |
| Sry33 | 0 | -0.0026(12) |
| Srz33 | 0 | 0 |
| Srx34 | 0 | 0.0034(4) |
| Sry34 | 0 | 0 |
| Srz34 | 0 | -0.0020(5) |
| Srx35 | 0 | 0 |
| Sry35 | 0 | 0.0003(9) |
| Srz35 | 0 | 0 |
| Srx36 | 0 | 0.0068(4) |
| Sry36 | 0 | 0 |
| Srz36 | 0 | -0.0021(5) |
| Bix1 | 0 | 0 |
| Biy1 | 0 | 0.0077(3) |
| Biz1 | 0 | 0 |
| Bix2 | 0 | -0.0078(3) |
| Biy2 | 0 | 0 |
| Biz2 | 0 | -0.0344(4) |
| Bix3 | 0 | 0 |
| Biy3 | 0 | 0.0092(4) |
| Biz3 | 0 | 0 |
| Bix4 | 0 | -0.1896(4) |
| Biy4 | 0 | 0 |
| Biz4 | 0 | 0.0866(4) |
| Bix5 | 0 | 0 |
| Biy5 | 0 | -0.0046(4) |
| Biz5 | 0 | 0 |
| Bix6 | 0 | 0.0427(4) |
| Biy6 | 0 | 0 |
| Biz6 | 0 | -0.0242(5) |
| Bix7 | 0 | 0 |
| Biy7 | 0 | -0.0071(4) |
| Biz7 | 0 | 0 |
| Bix8 | 0 | 0.0328(4) |
| Biy8 | 0 | 0 |
| Biz8 | 0 | -0.0062(5) |
| Bix9 | 0 | 0 |
| Biy9 | 0 | -0.0017(4) |
| Biz9 | 0 | 0 |
| Bix10 | 0 | -0.0475(4) |
| Biy10 | 0 | 0 |
| Biz10 | 0 | 0.0733(4) |
| Bix11 | 0 | 0 |
| Biy11 | 0 | 0.0043(4) |
| Biz11 | 0 | 0 |
| Bix12 | 0 | -0.0081(4) |
| Biy12 | 0 | 0 |
| Biz12 | 0 | 0.0104(5) |
| Bix13 | 0 | 0 |
| Biy13 | 0 | 0.0015(5) |
| Biz13 | 0 | 0 |
| Bix14 | 0 | -0.0090(4) |
| Biy14 | 0 | 0 |
| Biz14 | 0 | -0.0049(5) |
| Bix15 | 0 | 0 |
| Biy15 | 0 | -0.0026(5) |
| Biz15 | 0 | 0 |
| Bix16 | 0 | 0.0008(4) |
| Biy16 | 0 | 0 |
| Biz16 | 0 | -0.0078(5) |
| Bix17 | 0 | 0 |
| Biy17 | 0 | 0.0002(6) |
| Biz17 | 0 | 0 |
| Bix18 | 0 | -0.0229(4) |
| Biy18 | 0 | 0 |
| Biz18 | 0 | 0.0101(4) |
| Bix19 | 0 | 0 |
| Biy19 | 0 | 0.0008(8) |
| Biz19 | 0 | 0 |
| Bix20 | 0 | 0.0094(4) |
| Biy20 | 0 | 0 |
| Biz20 | 0 | -0.0032(5) |
| Bix21 | 0 | 0 |
| Biy21 | 0 | -0.0003(8) |
| Biz21 | 0 | 0 |
| Bix22 | 0 | 0.0060(5) |
| Biy22 | 0 | 0 |
| Biz22 | 0 | -0.0018(5) |
| Bix23 | 0 | 0 |
| Biy23 | 0 | 0.0010(9) |
| Biz23 | 0 | 0 |
| Bix24 | 0 | -0.0076(4) |
| Biy24 | 0 | 0 |
| Biz24 | 0 | 0.0115(5) |
| Bix25 | 0 | 0 |
| Biy25 | 0 | 0.0002(8) |
| Biz25 | 0 | 0 |
| Bix26 | 0 | -0.0045(4) |
| Biy26 | 0 | 0 |
| Biz26 | 0 | 0.0054(5) |
| Bix27 | 0 | 0 |
| Biy27 | 0 | -0.0002(12) |
| Biz27 | 0 | 0 |
| Bix28 | 0 | 0.0007(5) |
| Biy28 | 0 | 0 |
| Biz28 | 0 | -0.0027(5) |
| Bix29 | 0 | 0 |
| Biy29 | 0 | 0.0008(12) |
| Biz29 | 0 | 0 |
| Bix30 | 0 | 0.0005(5) |
| Biy30 | 0 | 0 |
| Biz30 | 0 | -0.0007(6) |
| Bix31 | 0 | 0 |
| Biy31 | 0 | 0.0004(11) |
| Biz31 | 0 | 0 |
| Bix32 | 0 | -0.0045(5) |
| Biy32 | 0 | 0 |
| Biz32 | 0 | 0.0026(6) |
| Bix33 | 0 | 0 |
| Biy33 | 0 | -0.0026(12) |
| Biz33 | 0 | 0 |
| Bix34 | 0 | 0.0034(4) |
| Biy34 | 0 | 0 |
| Biz34 | 0 | -0.0020(5) |
| Bix35 | 0 | 0 |
| Biy35 | 0 | 0.0003(9) |
| Biz35 | 0 | 0 |
| Bix36 | 0 | 0.0068(4) |
| Biy36 | 0 | 0 |
| Biz36 | 0 | -0.0021(5) |
| Fex1 | 0 | 0 |
| Fey1 | 0 | 0.0077(3) |
| Fez1 | 0 | 0 |
| Fex2 | 0 | -0.0078(3) |
| Fey2 | 0 | 0 |
| Fez2 | 0 | -0.0344(4) |
| Fex3 | 0 | 0 |
| Fey3 | 0 | 0.0092(4) |
| Fez3 | 0 | 0 |
| Fex4 | 0 | -0.1896(4) |
| Fey4 | 0 | 0 |
| Fez4 | 0 | 0.0866(4) |
| Fex5 | 0 | 0 |
| Fey5 | 0 | -0.0046(4) |
| Fez5 | 0 | 0 |
| Fex6 | 0 | 0.0427(4) |
| Fey6 | 0 | 0 |
| Fez6 | 0 | -0.0242(5) |
| Fex7 | 0 | 0 |
| Fey7 | 0 | -0.0071(4) |
| Fez7 | 0 | 0 |
| Fex8 | 0 | 0.0328(4) |
| Fey8 | 0 | 0 |
| Fez8 | 0 | -0.0062(5) |
| Fex9 | 0 | 0 |
| Fey9 | 0 | -0.0017(4) |
| Fez9 | 0 | 0 |
| Fex10 | 0 | -0.0475(4) |
| Fey10 | 0 | 0 |
| Fez10 | 0 | 0.0733(4) |
| Fex11 | 0 | 0 |
| Fey11 | 0 | 0.0043(4) |
| Fez11 | 0 | 0 |
| Fex12 | 0 | -0.0081(4) |
| Fey12 | 0 | 0 |
| Fez12 | 0 | 0.0104(5) |
| Fex13 | 0 | 0 |
| Fey13 | 0 | 0.0015(5) |
| Fez13 | 0 | 0 |
| Fex14 | 0 | -0.0090(4) |
| Fey14 | 0 | 0 |
| Fez14 | 0 | -0.0049(5) |
| Fex15 | 0 | 0 |
| Fey15 | 0 | -0.0026(5) |
| Fez15 | 0 | 0 |
| Fex16 | 0 | 0.0008(4) |
| Fey16 | 0 | 0 |
| Fez16 | 0 | -0.0078(5) |
| Fex17 | 0 | 0 |
| Fey17 | 0 | 0.0002(6) |
| Fez17 | 0 | 0 |
| Fex18 | 0 | -0.0229(4) |
| Fey18 | 0 | 0 |
| Fez18 | 0 | 0.0101(4) |
| Fex19 | 0 | 0 |
| Fey19 | 0 | 0.0008(8) |
| Fez19 | 0 | 0 |
| Fex20 | 0 | 0.0094(4) |
| Fey20 | 0 | 0 |
| Fez20 | 0 | -0.0032(5) |
| Fex21 | 0 | 0 |
| Fey21 | 0 | -0.0003(8) |
| Fez21 | 0 | 0 |
| Fex22 | 0 | 0.0060(5) |
| Fey22 | 0 | 0 |
| Fez22 | 0 | -0.0018(5) |
| Fex23 | 0 | 0 |
| Fey23 | 0 | 0.0010(9) |
| Fez23 | 0 | 0 |
| Fex24 | 0 | -0.0076(4) |
| Fey24 | 0 | 0 |
| Fez24 | 0 | 0.0115(5) |
| Fex25 | 0 | 0 |
| Fey25 | 0 | 0.0002(8) |
| Fez25 | 0 | 0 |
| Fex26 | 0 | -0.0045(4) |
| Fey26 | 0 | 0 |
| Fez26 | 0 | 0.0054(5) |
| Fex27 | 0 | 0 |
| Fey27 | 0 | -0.0002(12) |
| Fez27 | 0 | 0 |
| Fex28 | 0 | 0.0007(5) |
| Fey28 | 0 | 0 |
| Fez28 | 0 | -0.0027(5) |
| Fex29 | 0 | 0 |
| Fey29 | 0 | 0.0008(12) |
| Fez29 | 0 | 0 |
| Fex30 | 0 | 0.0005(5) |
| Fey30 | 0 | 0 |
| Fez30 | 0 | -0.0007(6) |
| Fex31 | 0 | 0 |
| Fey31 | 0 | 0.0004(11) |
| Fez31 | 0 | 0 |
| Fex32 | 0 | -0.0045(5) |
| Fey32 | 0 | 0 |
| Fez32 | 0 | 0.0026(6) |
| Fex33 | 0 | 0 |
| Fey33 | 0 | -0.0026(12) |
| Fez33 | 0 | 0 |
| Fex34 | 0 | 0.0034(4) |
| Fey34 | 0 | 0 |
| Fez34 | 0 | -0.0020(5) |
| Fex35 | 0 | 0 |
| Fey35 | 0 | 0.0003(9) |
| Fez35 | 0 | 0 |
| Fex36 | 0 | 0.0068(4) |
| Fey36 | 0 | 0 |
| Fez36 | 0 | -0.0021(5) |
Displacive (translational) Legendre coefficients: (Show/hide table) [ Help ]
| Atom site label | Displacement axis | Polynomial order | Polynomial coeff. |
|---|---|---|---|
| O1 | x | 1 | 0.180(6) |
| O1 | y | 1 | 0 |
| O1 | z | 1 | 0.000(6) |
| O1 | x | 2 | 0 |
| O1 | y | 2 | -0.070(6) |
| O1 | z | 2 | 0 |
| O1 | x | 3 | 0.262(9) |
| O1 | y | 3 | 0 |
| O1 | z | 3 | 0.158(10) |
| O1 | x | 4 | 0 |
| O1 | y | 4 | 0.034(8) |
| O1 | z | 4 | 0 |
| O1 | x | 5 | -0.144(11) |
| O1 | y | 5 | 0 |
| O1 | z | 5 | 0.146(13) |
| O1 | x | 6 | 0 |
| O1 | y | 6 | 0.052(10) |
| O1 | z | 6 | 0 |
| O1 | x | 7 | -0.044(13) |
| O1 | y | 7 | 0 |
| O1 | z | 7 | -0.006(15) |
| O1 | x | 8 | 0 |
| O1 | y | 8 | -0.005(12) |
| O1 | z | 8 | 0 |
| O2 | x | 1 | -0.076(6) |
| O2 | y | 1 | 0.010(5) |
| O2 | z | 1 | 0.010(6) |
| O2 | x | 2 | -0.012(10) |
| O2 | y | 2 | -0.015(7) |
| O2 | z | 2 | 0.018(11) |
| O2 | x | 3 | 0.091(9) |
| O2 | y | 3 | 0.015(8) |
| O2 | z | 3 | -0.062(10) |
| O2 | x | 4 | -0.020(17) |
| O2 | y | 4 | -0.011(12) |
| O2 | z | 4 | 0.020(16) |
Definition of the ADP Fourier series: (Show/hide table) [ Help ]
| Modulation code | Atom site label | Tensor element | Wave vector code |
|---|---|---|---|
| SrU111 | Sr | U11 | 1 |
| SrU221 | Sr | U22 | 1 |
| SrU331 | Sr | U33 | 1 |
| SrU121 | Sr | U12 | 1 |
| SrU131 | Sr | U13 | 1 |
| SrU231 | Sr | U23 | 1 |
| SrU112 | Sr | U11 | 2 |
| SrU222 | Sr | U22 | 2 |
| SrU332 | Sr | U33 | 2 |
| SrU122 | Sr | U12 | 2 |
| SrU132 | Sr | U13 | 2 |
| SrU232 | Sr | U23 | 2 |
| SrU113 | Sr | U11 | 3 |
| SrU223 | Sr | U22 | 3 |
| SrU333 | Sr | U33 | 3 |
| SrU123 | Sr | U12 | 3 |
| SrU133 | Sr | U13 | 3 |
| SrU233 | Sr | U23 | 3 |
| SrU114 | Sr | U11 | 4 |
| SrU224 | Sr | U22 | 4 |
| SrU334 | Sr | U33 | 4 |
| SrU124 | Sr | U12 | 4 |
| SrU134 | Sr | U13 | 4 |
| SrU234 | Sr | U23 | 4 |
| SrU115 | Sr | U11 | 5 |
| SrU225 | Sr | U22 | 5 |
| SrU335 | Sr | U33 | 5 |
| SrU125 | Sr | U12 | 5 |
| SrU135 | Sr | U13 | 5 |
| SrU235 | Sr | U23 | 5 |
| SrU116 | Sr | U11 | 6 |
| SrU226 | Sr | U22 | 6 |
| SrU336 | Sr | U33 | 6 |
| SrU126 | Sr | U12 | 6 |
| SrU136 | Sr | U13 | 6 |
| SrU236 | Sr | U23 | 6 |
| SrU117 | Sr | U11 | 7 |
| SrU227 | Sr | U22 | 7 |
| SrU337 | Sr | U33 | 7 |
| SrU127 | Sr | U12 | 7 |
| SrU137 | Sr | U13 | 7 |
| SrU237 | Sr | U23 | 7 |
| SrU118 | Sr | U11 | 8 |
| SrU228 | Sr | U22 | 8 |
| SrU338 | Sr | U33 | 8 |
| SrU128 | Sr | U12 | 8 |
| SrU138 | Sr | U13 | 8 |
| SrU238 | Sr | U23 | 8 |
| SrU119 | Sr | U11 | 9 |
| SrU229 | Sr | U22 | 9 |
| SrU339 | Sr | U33 | 9 |
| SrU129 | Sr | U12 | 9 |
| SrU139 | Sr | U13 | 9 |
| SrU239 | Sr | U23 | 9 |
| SrU1110 | Sr | U11 | 10 |
| SrU2210 | Sr | U22 | 10 |
| SrU3310 | Sr | U33 | 10 |
| SrU1210 | Sr | U12 | 10 |
| SrU1310 | Sr | U13 | 10 |
| SrU2310 | Sr | U23 | 10 |
| SrU1111 | Sr | U11 | 11 |
| SrU2211 | Sr | U22 | 11 |
| SrU3311 | Sr | U33 | 11 |
| SrU1211 | Sr | U12 | 11 |
| SrU1311 | Sr | U13 | 11 |
| SrU2311 | Sr | U23 | 11 |
| SrU1112 | Sr | U11 | 12 |
| SrU2212 | Sr | U22 | 12 |
| SrU3312 | Sr | U33 | 12 |
| SrU1212 | Sr | U12 | 12 |
| SrU1312 | Sr | U13 | 12 |
| SrU2312 | Sr | U23 | 12 |
| SrU1113 | Sr | U11 | 13 |
| SrU2213 | Sr | U22 | 13 |
| SrU3313 | Sr | U33 | 13 |
| SrU1213 | Sr | U12 | 13 |
| SrU1313 | Sr | U13 | 13 |
| SrU2313 | Sr | U23 | 13 |
| SrU1114 | Sr | U11 | 14 |
| SrU2214 | Sr | U22 | 14 |
| SrU3314 | Sr | U33 | 14 |
| SrU1214 | Sr | U12 | 14 |
| SrU1314 | Sr | U13 | 14 |
| SrU2314 | Sr | U23 | 14 |
| BiU111 | Bi | U11 | 1 |
| BiU221 | Bi | U22 | 1 |
| BiU331 | Bi | U33 | 1 |
| BiU121 | Bi | U12 | 1 |
| BiU131 | Bi | U13 | 1 |
| BiU231 | Bi | U23 | 1 |
| BiU112 | Bi | U11 | 2 |
| BiU222 | Bi | U22 | 2 |
| BiU332 | Bi | U33 | 2 |
| BiU122 | Bi | U12 | 2 |
| BiU132 | Bi | U13 | 2 |
| BiU232 | Bi | U23 | 2 |
| BiU113 | Bi | U11 | 3 |
| BiU223 | Bi | U22 | 3 |
| BiU333 | Bi | U33 | 3 |
| BiU123 | Bi | U12 | 3 |
| BiU133 | Bi | U13 | 3 |
| BiU233 | Bi | U23 | 3 |
| BiU114 | Bi | U11 | 4 |
| BiU224 | Bi | U22 | 4 |
| BiU334 | Bi | U33 | 4 |
| BiU124 | Bi | U12 | 4 |
| BiU134 | Bi | U13 | 4 |
| BiU234 | Bi | U23 | 4 |
| BiU115 | Bi | U11 | 5 |
| BiU225 | Bi | U22 | 5 |
| BiU335 | Bi | U33 | 5 |
| BiU125 | Bi | U12 | 5 |
| BiU135 | Bi | U13 | 5 |
| BiU235 | Bi | U23 | 5 |
| BiU116 | Bi | U11 | 6 |
| BiU226 | Bi | U22 | 6 |
| BiU336 | Bi | U33 | 6 |
| BiU126 | Bi | U12 | 6 |
| BiU136 | Bi | U13 | 6 |
| BiU236 | Bi | U23 | 6 |
| BiU117 | Bi | U11 | 7 |
| BiU227 | Bi | U22 | 7 |
| BiU337 | Bi | U33 | 7 |
| BiU127 | Bi | U12 | 7 |
| BiU137 | Bi | U13 | 7 |
| BiU237 | Bi | U23 | 7 |
| BiU118 | Bi | U11 | 8 |
| BiU228 | Bi | U22 | 8 |
| BiU338 | Bi | U33 | 8 |
| BiU128 | Bi | U12 | 8 |
| BiU138 | Bi | U13 | 8 |
| BiU238 | Bi | U23 | 8 |
| BiU119 | Bi | U11 | 9 |
| BiU229 | Bi | U22 | 9 |
| BiU339 | Bi | U33 | 9 |
| BiU129 | Bi | U12 | 9 |
| BiU139 | Bi | U13 | 9 |
| BiU239 | Bi | U23 | 9 |
| BiU1110 | Bi | U11 | 10 |
| BiU2210 | Bi | U22 | 10 |
| BiU3310 | Bi | U33 | 10 |
| BiU1210 | Bi | U12 | 10 |
| BiU1310 | Bi | U13 | 10 |
| BiU2310 | Bi | U23 | 10 |
| BiU1111 | Bi | U11 | 11 |
| BiU2211 | Bi | U22 | 11 |
| BiU3311 | Bi | U33 | 11 |
| BiU1211 | Bi | U12 | 11 |
| BiU1311 | Bi | U13 | 11 |
| BiU2311 | Bi | U23 | 11 |
| BiU1112 | Bi | U11 | 12 |
| BiU2212 | Bi | U22 | 12 |
| BiU3312 | Bi | U33 | 12 |
| BiU1212 | Bi | U12 | 12 |
| BiU1312 | Bi | U13 | 12 |
| BiU2312 | Bi | U23 | 12 |
| BiU1113 | Bi | U11 | 13 |
| BiU2213 | Bi | U22 | 13 |
| BiU3313 | Bi | U33 | 13 |
| BiU1213 | Bi | U12 | 13 |
| BiU1313 | Bi | U13 | 13 |
| BiU2313 | Bi | U23 | 13 |
| BiU1114 | Bi | U11 | 14 |
| BiU2214 | Bi | U22 | 14 |
| BiU3314 | Bi | U33 | 14 |
| BiU1214 | Bi | U12 | 14 |
| BiU1314 | Bi | U13 | 14 |
| BiU2314 | Bi | U23 | 14 |
| FeU111 | Fe | U11 | 1 |
| FeU221 | Fe | U22 | 1 |
| FeU331 | Fe | U33 | 1 |
| FeU121 | Fe | U12 | 1 |
| FeU131 | Fe | U13 | 1 |
| FeU231 | Fe | U23 | 1 |
| FeU112 | Fe | U11 | 2 |
| FeU222 | Fe | U22 | 2 |
| FeU332 | Fe | U33 | 2 |
| FeU122 | Fe | U12 | 2 |
| FeU132 | Fe | U13 | 2 |
| FeU232 | Fe | U23 | 2 |
| FeU113 | Fe | U11 | 3 |
| FeU223 | Fe | U22 | 3 |
| FeU333 | Fe | U33 | 3 |
| FeU123 | Fe | U12 | 3 |
| FeU133 | Fe | U13 | 3 |
| FeU233 | Fe | U23 | 3 |
| FeU114 | Fe | U11 | 4 |
| FeU224 | Fe | U22 | 4 |
| FeU334 | Fe | U33 | 4 |
| FeU124 | Fe | U12 | 4 |
| FeU134 | Fe | U13 | 4 |
| FeU234 | Fe | U23 | 4 |
| FeU115 | Fe | U11 | 5 |
| FeU225 | Fe | U22 | 5 |
| FeU335 | Fe | U33 | 5 |
| FeU125 | Fe | U12 | 5 |
| FeU135 | Fe | U13 | 5 |
| FeU235 | Fe | U23 | 5 |
| FeU116 | Fe | U11 | 6 |
| FeU226 | Fe | U22 | 6 |
| FeU336 | Fe | U33 | 6 |
| FeU126 | Fe | U12 | 6 |
| FeU136 | Fe | U13 | 6 |
| FeU236 | Fe | U23 | 6 |
| FeU117 | Fe | U11 | 7 |
| FeU227 | Fe | U22 | 7 |
| FeU337 | Fe | U33 | 7 |
| FeU127 | Fe | U12 | 7 |
| FeU137 | Fe | U13 | 7 |
| FeU237 | Fe | U23 | 7 |
| FeU118 | Fe | U11 | 8 |
| FeU228 | Fe | U22 | 8 |
| FeU338 | Fe | U33 | 8 |
| FeU128 | Fe | U12 | 8 |
| FeU138 | Fe | U13 | 8 |
| FeU238 | Fe | U23 | 8 |
| FeU119 | Fe | U11 | 9 |
| FeU229 | Fe | U22 | 9 |
| FeU339 | Fe | U33 | 9 |
| FeU129 | Fe | U12 | 9 |
| FeU139 | Fe | U13 | 9 |
| FeU239 | Fe | U23 | 9 |
| FeU1110 | Fe | U11 | 10 |
| FeU2210 | Fe | U22 | 10 |
| FeU3310 | Fe | U33 | 10 |
| FeU1210 | Fe | U12 | 10 |
| FeU1310 | Fe | U13 | 10 |
| FeU2310 | Fe | U23 | 10 |
| FeU1111 | Fe | U11 | 11 |
| FeU2211 | Fe | U22 | 11 |
| FeU3311 | Fe | U33 | 11 |
| FeU1211 | Fe | U12 | 11 |
| FeU1311 | Fe | U13 | 11 |
| FeU2311 | Fe | U23 | 11 |
| FeU1112 | Fe | U11 | 12 |
| FeU2212 | Fe | U22 | 12 |
| FeU3312 | Fe | U33 | 12 |
| FeU1212 | Fe | U12 | 12 |
| FeU1312 | Fe | U13 | 12 |
| FeU2312 | Fe | U23 | 12 |
| FeU1113 | Fe | U11 | 13 |
| FeU2213 | Fe | U22 | 13 |
| FeU3313 | Fe | U33 | 13 |
| FeU1213 | Fe | U12 | 13 |
| FeU1313 | Fe | U13 | 13 |
| FeU2313 | Fe | U23 | 13 |
| FeU1114 | Fe | U11 | 14 |
| FeU2214 | Fe | U22 | 14 |
| FeU3314 | Fe | U33 | 14 |
| FeU1214 | Fe | U12 | 14 |
| FeU1314 | Fe | U13 | 14 |
| FeU2314 | Fe | U23 | 14 |
ADP Fourier coefficients: (Show/hide table) [ Help ]
| Modulation code | Cosine coefficient | Sine coefficient |
|---|---|---|
| SrU111 | 0 | 0 |
| SrU221 | 0 | 0 |
| SrU331 | 0 | 0 |
| SrU121 | -0.0004(9) | 0 |
| SrU131 | 0 | 0 |
| SrU231 | 0.0001(8) | 0 |
| SrU112 | 0.0007(8) | 0 |
| SrU222 | 0.0035(10) | 0 |
| SrU332 | 0.0015(8) | 0 |
| SrU122 | 0 | 0 |
| SrU132 | 0.0023(6) | 0 |
| SrU232 | 0 | 0 |
| SrU113 | 0 | 0 |
| SrU223 | 0 | 0 |
| SrU333 | 0 | 0 |
| SrU123 | 0.0011(9) | 0 |
| SrU133 | 0 | 0 |
| SrU233 | -0.0001(7) | 0 |
| SrU114 | -0.0008(7) | 0 |
| SrU224 | -0.0018(10) | 0 |
| SrU334 | 0.0015(7) | 0 |
| SrU124 | 0 | 0 |
| SrU134 | -0.0014(5) | 0 |
| SrU234 | 0 | 0 |
| SrU115 | 0 | 0 |
| SrU225 | 0 | 0 |
| SrU335 | 0 | 0 |
| SrU125 | 0.0014(9) | 0 |
| SrU135 | 0 | 0 |
| SrU235 | -0.0003(6) | 0 |
| SrU116 | 0.0010(6) | 0 |
| SrU226 | -0.0015(9) | 0 |
| SrU336 | 0.0007(7) | 0 |
| SrU126 | 0 | 0 |
| SrU136 | -0.0041(5) | 0 |
| SrU236 | 0 | 0 |
| SrU117 | 0 | 0 |
| SrU227 | 0 | 0 |
| SrU337 | 0 | 0 |
| SrU127 | 0.0000(9) | 0 |
| SrU137 | 0 | 0 |
| SrU237 | 0.0004(7) | 0 |
| SrU118 | 0.0040(6) | 0 |
| SrU228 | 0.0031(9) | 0 |
| SrU338 | 0.0011(6) | 0 |
| SrU128 | 0 | 0 |
| SrU138 | -0.0009(5) | 0 |
| SrU238 | 0 | 0 |
| SrU119 | 0 | 0 |
| SrU229 | 0 | 0 |
| SrU339 | 0 | 0 |
| SrU129 | 0.0014(10) | 0 |
| SrU139 | 0 | 0 |
| SrU239 | -0.0006(7) | 0 |
| SrU1110 | 0.0005(6) | 0 |
| SrU2210 | 0.0002(9) | 0 |
| SrU3310 | -0.0008(7) | 0 |
| SrU1210 | 0 | 0 |
| SrU1310 | -0.0004(5) | 0 |
| SrU2310 | 0 | 0 |
| SrU1111 | 0 | 0 |
| SrU2211 | 0 | 0 |
| SrU3311 | 0 | 0 |
| SrU1211 | 0.0012(7) | 0 |
| SrU1311 | 0 | 0 |
| SrU2311 | -0.0003(6) | 0 |
| SrU1112 | 0.0002(6) | 0 |
| SrU2212 | -0.0030(9) | 0 |
| SrU3312 | -0.0001(6) | 0 |
| SrU1212 | 0 | 0 |
| SrU1312 | -0.0020(4) | 0 |
| SrU2312 | 0 | 0 |
| SrU1113 | 0 | 0 |
| SrU2213 | 0 | 0 |
| SrU3313 | 0 | 0 |
| SrU1213 | -0.0006(9) | 0 |
| SrU1313 | 0 | 0 |
| SrU2313 | 0.0000(8) | 0 |
| SrU1114 | 0.0058(5) | 0 |
| SrU2214 | 0.0034(9) | 0 |
| SrU3314 | 0.0010(6) | 0 |
| SrU1214 | 0 | 0 |
| SrU1314 | -0.0022(4) | 0 |
| SrU2314 | 0 | 0 |
| BiU111 | 0 | 0 |
| BiU221 | 0 | 0 |
| BiU331 | 0 | 0 |
| BiU121 | -0.0004(9) | 0 |
| BiU131 | 0 | 0 |
| BiU231 | 0.0001(8) | 0 |
| BiU112 | 0.0007(8) | 0 |
| BiU222 | 0.0035(10) | 0 |
| BiU332 | 0.0015(8) | 0 |
| BiU122 | 0 | 0 |
| BiU132 | 0.0023(6) | 0 |
| BiU232 | 0 | 0 |
| BiU113 | 0 | 0 |
| BiU223 | 0 | 0 |
| BiU333 | 0 | 0 |
| BiU123 | 0.0011(9) | 0 |
| BiU133 | 0 | 0 |
| BiU233 | -0.0001(7) | 0 |
| BiU114 | -0.0008(7) | 0 |
| BiU224 | -0.0018(10) | 0 |
| BiU334 | 0.0015(7) | 0 |
| BiU124 | 0 | 0 |
| BiU134 | -0.0014(5) | 0 |
| BiU234 | 0 | 0 |
| BiU115 | 0 | 0 |
| BiU225 | 0 | 0 |
| BiU335 | 0 | 0 |
| BiU125 | 0.0014(9) | 0 |
| BiU135 | 0 | 0 |
| BiU235 | -0.0003(6) | 0 |
| BiU116 | 0.0010(6) | 0 |
| BiU226 | -0.0015(9) | 0 |
| BiU336 | 0.0007(7) | 0 |
| BiU126 | 0 | 0 |
| BiU136 | -0.0041(5) | 0 |
| BiU236 | 0 | 0 |
| BiU117 | 0 | 0 |
| BiU227 | 0 | 0 |
| BiU337 | 0 | 0 |
| BiU127 | 0.0000(9) | 0 |
| BiU137 | 0 | 0 |
| BiU237 | 0.0004(7) | 0 |
| BiU118 | 0.0040(6) | 0 |
| BiU228 | 0.0031(9) | 0 |
| BiU338 | 0.0011(6) | 0 |
| BiU128 | 0 | 0 |
| BiU138 | -0.0009(5) | 0 |
| BiU238 | 0 | 0 |
| BiU119 | 0 | 0 |
| BiU229 | 0 | 0 |
| BiU339 | 0 | 0 |
| BiU129 | 0.0014(10) | 0 |
| BiU139 | 0 | 0 |
| BiU239 | -0.0006(7) | 0 |
| BiU1110 | 0.0005(6) | 0 |
| BiU2210 | 0.0002(9) | 0 |
| BiU3310 | -0.0008(7) | 0 |
| BiU1210 | 0 | 0 |
| BiU1310 | -0.0004(5) | 0 |
| BiU2310 | 0 | 0 |
| BiU1111 | 0 | 0 |
| BiU2211 | 0 | 0 |
| BiU3311 | 0 | 0 |
| BiU1211 | 0.0012(7) | 0 |
| BiU1311 | 0 | 0 |
| BiU2311 | -0.0003(6) | 0 |
| BiU1112 | 0.0002(6) | 0 |
| BiU2212 | -0.0030(9) | 0 |
| BiU3312 | -0.0001(6) | 0 |
| BiU1212 | 0 | 0 |
| BiU1312 | -0.0020(4) | 0 |
| BiU2312 | 0 | 0 |
| BiU1113 | 0 | 0 |
| BiU2213 | 0 | 0 |
| BiU3313 | 0 | 0 |
| BiU1213 | -0.0006(9) | 0 |
| BiU1313 | 0 | 0 |
| BiU2313 | 0.0000(8) | 0 |
| BiU1114 | 0.0058(5) | 0 |
| BiU2214 | 0.0034(9) | 0 |
| BiU3314 | 0.0010(6) | 0 |
| BiU1214 | 0 | 0 |
| BiU1314 | -0.0022(4) | 0 |
| BiU2314 | 0 | 0 |
| FeU111 | 0 | 0 |
| FeU221 | 0 | 0 |
| FeU331 | 0 | 0 |
| FeU121 | -0.0004(9) | 0 |
| FeU131 | 0 | 0 |
| FeU231 | 0.0001(8) | 0 |
| FeU112 | 0.0007(8) | 0 |
| FeU222 | 0.0035(10) | 0 |
| FeU332 | 0.0015(8) | 0 |
| FeU122 | 0 | 0 |
| FeU132 | 0.0023(6) | 0 |
| FeU232 | 0 | 0 |
| FeU113 | 0 | 0 |
| FeU223 | 0 | 0 |
| FeU333 | 0 | 0 |
| FeU123 | 0.0011(9) | 0 |
| FeU133 | 0 | 0 |
| FeU233 | -0.0001(7) | 0 |
| FeU114 | -0.0008(7) | 0 |
| FeU224 | -0.0018(10) | 0 |
| FeU334 | 0.0015(7) | 0 |
| FeU124 | 0 | 0 |
| FeU134 | -0.0014(5) | 0 |
| FeU234 | 0 | 0 |
| FeU115 | 0 | 0 |
| FeU225 | 0 | 0 |
| FeU335 | 0 | 0 |
| FeU125 | 0.0014(9) | 0 |
| FeU135 | 0 | 0 |
| FeU235 | -0.0003(6) | 0 |
| FeU116 | 0.0010(6) | 0 |
| FeU226 | -0.0015(9) | 0 |
| FeU336 | 0.0007(7) | 0 |
| FeU126 | 0 | 0 |
| FeU136 | -0.0041(5) | 0 |
| FeU236 | 0 | 0 |
| FeU117 | 0 | 0 |
| FeU227 | 0 | 0 |
| FeU337 | 0 | 0 |
| FeU127 | 0.0000(9) | 0 |
| FeU137 | 0 | 0 |
| FeU237 | 0.0004(7) | 0 |
| FeU118 | 0.0040(6) | 0 |
| FeU228 | 0.0031(9) | 0 |
| FeU338 | 0.0011(6) | 0 |
| FeU128 | 0 | 0 |
| FeU138 | -0.0009(5) | 0 |
| FeU238 | 0 | 0 |
| FeU119 | 0 | 0 |
| FeU229 | 0 | 0 |
| FeU339 | 0 | 0 |
| FeU129 | 0.0014(10) | 0 |
| FeU139 | 0 | 0 |
| FeU239 | -0.0006(7) | 0 |
| FeU1110 | 0.0005(6) | 0 |
| FeU2210 | 0.0002(9) | 0 |
| FeU3310 | -0.0008(7) | 0 |
| FeU1210 | 0 | 0 |
| FeU1310 | -0.0004(5) | 0 |
| FeU2310 | 0 | 0 |
| FeU1111 | 0 | 0 |
| FeU2211 | 0 | 0 |
| FeU3311 | 0 | 0 |
| FeU1211 | 0.0012(7) | 0 |
| FeU1311 | 0 | 0 |
| FeU2311 | -0.0003(6) | 0 |
| FeU1112 | 0.0002(6) | 0 |
| FeU2212 | -0.0030(9) | 0 |
| FeU3312 | -0.0001(6) | 0 |
| FeU1212 | 0 | 0 |
| FeU1312 | -0.0020(4) | 0 |
| FeU2312 | 0 | 0 |
| FeU1113 | 0 | 0 |
| FeU2213 | 0 | 0 |
| FeU3313 | 0 | 0 |
| FeU1213 | -0.0006(9) | 0 |
| FeU1313 | 0 | 0 |
| FeU2313 | 0.0000(8) | 0 |
| FeU1114 | 0.0058(5) | 0 |
| FeU2214 | 0.0034(9) | 0 |
| FeU3314 | 0.0010(6) | 0 |
| FeU1214 | 0 | 0 |
| FeU1314 | -0.0022(4) | 0 |
| FeU2314 | 0 | 0 |
II
Chemical data
Structural Formula Sum: Bi14 Fe12 O61 Sr21 [ Help ]
Formula weight: 6411.8 Da [ Help ]
Crystallographic data and experimental details
Crystal system: monoclinic [ Help ]
Superspace group name: X2/m(α0γ)0s [ Help ]
Symmetry operations of the superspace group: (Show/hide table) [ Help ]
| Operation code | Operation in algebraic form |
|---|---|
| 1 | x1,x2,x3,x4 |
| 2 | -x1,x2,-x3,-x4+1/2 |
| 3 | -x1,-x2,-x3,-x4 |
| 4 | x1,-x2,x3,x4+1/2 |
| 5 | x1+1/2,x2+1/2,x3+1/2,x4+1/2 |
| 6 | -x1+1/2,x2+1/2,-x3+1/2,-x4 |
| 7 | -x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2 |
| 8 | x1+1/2,-x2+1/2,x3+1/2,x4 |
a: 3.5905 Å [ Help ]
b: 5.4903 Å [ Help ]
c: 3.4954 Å [ Help ]
α: 90 ° [ Help ]
β: 81.8989 ° [ Help ]
γ: 90 ° [ Help ]
Volume: 68.21695 Å3 [ Help ]
Modulation dimension: 1 [ Help ]
Measured independent wave vectors: (Show/hide table) [ Help ]
| Wave vector id | q_x | q_y | q_z |
|---|---|---|---|
| 1 | 0.276596 | 0.000000 | -0.297872 |
Z: 8 [ Help ]
Cell measurement temperature: 293 K [ Help ]
Refinement details
Total nb. of reflections: 11954 [ Help ]
Nb. of observed reflections: 6846 [ Help ]
Intense reflections threshold: I>3σ(I) [ Help ]
Refinement based on: F [ Help ]
R(obs): 0.0860 [ Help ]
wR(obs): 0.0998 [ Help ]
R(all): 0.1447 [ Help ]
wR(all): 0.1042 [ Help ]
S(all): 2.60 [ Help ]
S(obs): 3.30 [ Help ]
Nb. of reflections: 11954 [ Help ]
Nb. of parameters: 158 [ Help ]
Number of constraints: 981 [ Help ]
Weighting scheme: sigma [ Help ]
Weighting scheme remarks: w=1/(σ2(F)+0.0001F2) [ Help ]
Δ/σ(max): 0.0000 [ Help ]
Δ/σ(mean): 0.0000 [ Help ]
Δρ(max): 35.75 e_Å-3 [ Help ]
Δρ(min): -12.86 e_Å-3 [ Help ]
Extinction method: none [ Help ]
Structural Information
Average Structure: (Show/hide table) [ Help ]
| Atom site label | Atom symbol | x | y | z | ADP type | Uiso/equiv | Symmetry multiplicity | Occupancy | Coords from (d)iffraction or (c)alculated | Coords restraints or constraints | Disordered cluster | Disordered group |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sr | Sr | 0 | 0 | 0 | Uani | 0.01011(9) | 4 | 0.2234 | d | ? | ? | ? |
| Bi | Bi | 0 | 0 | 0 | Uani | 0.01011(9) | 8 | 0.0745 | d | ? | ? | ? |
| Fe | Fe | 0 | 0 | 0 | Uani | 0.01011(9) | 4 | 0.1277 | d | ? | ? | ? |
| O1 | O | 0 | 0.4494(8) | 0 | Uiso | 0.0215(8) | 4 | 0.3723 | d | ? | ? | ? |
| O2 | O | 0.2395(15) | 0.2462(7) | 0.2645(15) | Uiso | 0.0127(7) | 8 | 0.1383 | d | ? | ? | ? |
ADP components: (Show/hide table) [ Help ]
| Atom site label | Atom site symbol | U11 | U22 | U33 | U12 | U13 | U23 |
|---|---|---|---|---|---|---|---|
| Sr | Sr | 0.01350(15) | 0.00468(14) | 0.01352(16) | 0 | -0.00666(11) | 0 |
| Bi | Bi | 0.01350(15) | 0.00468(14) | 0.01352(16) | 0 | -0.00666(11) | 0 |
| Fe | Fe | 0.01350(15) | 0.00468(14) | 0.01352(16) | 0 | -0.00666(11) | 0 |
Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): (Show/hide table) [ Help ]
| Wave vector code | q_1 |
|---|---|
| 1 | 1 |
| 2 | 2 |
| 3 | 3 |
| 4 | 4 |
| 5 | 5 |
| 6 | 6 |
| 7 | 7 |
| 8 | 8 |
| 9 | 9 |
| 10 | 10 |
| 11 | 11 |
| 12 | 12 |
| 13 | 13 |
| 14 | 14 |
| 15 | 15 |
| 16 | 16 |
| 17 | 17 |
| 18 | 18 |
| 19 | 19 |
| 20 | 20 |
| 21 | 21 |
| 22 | 22 |
| 23 | 23 |
| 24 | 24 |
| 25 | 25 |
| 26 | 26 |
| 27 | 27 |
| 28 | 28 |
| 29 | 29 |
| 30 | 30 |
| 31 | 31 |
| 32 | 32 |
| 33 | 33 |
| 34 | 34 |
| 35 | 35 |
| 36 | 36 |
| 37 | 37 |
| 38 | 38 |
| 39 | 39 |
| 40 | 40 |
Occupation crenel coefficients: (Show/hide table) [ Help ]
| Atom site label | Center (x0) | Width |
|---|---|---|
| Sr | 0.75 | 0.2234 |
| Bi | 0.8989 | 0.0745 |
| Fe | 0 | 0.1277 |
| O1 | 0.25 | 0.3723 |
| O2 | -0.0072(6) | 0.1383 |
Definition of the displacive (translational) Fourier series: (Show/hide table) [ Help ]
| Modulation code | Atom site label | Displacement axis | Wave vector code |
|---|---|---|---|
| Srx1 | Sr | x | 1 |
| Sry1 | Sr | y | 1 |
| Srz1 | Sr | z | 1 |
| Srx2 | Sr | x | 2 |
| Sry2 | Sr | y | 2 |
| Srz2 | Sr | z | 2 |
| Srx3 | Sr | x | 3 |
| Sry3 | Sr | y | 3 |
| Srz3 | Sr | z | 3 |
| Srx4 | Sr | x | 4 |
| Sry4 | Sr | y | 4 |
| Srz4 | Sr | z | 4 |
| Srx5 | Sr | x | 5 |
| Sry5 | Sr | y | 5 |
| Srz5 | Sr | z | 5 |
| Srx6 | Sr | x | 6 |
| Sry6 | Sr | y | 6 |
| Srz6 | Sr | z | 6 |
| Srx7 | Sr | x | 7 |
| Sry7 | Sr | y | 7 |
| Srz7 | Sr | z | 7 |
| Srx8 | Sr | x | 8 |
| Sry8 | Sr | y | 8 |
| Srz8 | Sr | z | 8 |
| Srx9 | Sr | x | 9 |
| Sry9 | Sr | y | 9 |
| Srz9 | Sr | z | 9 |
| Srx10 | Sr | x | 10 |
| Sry10 | Sr | y | 10 |
| Srz10 | Sr | z | 10 |
| Srx11 | Sr | x | 11 |
| Sry11 | Sr | y | 11 |
| Srz11 | Sr | z | 11 |
| Srx12 | Sr | x | 12 |
| Sry12 | Sr | y | 12 |
| Srz12 | Sr | z | 12 |
| Srx13 | Sr | x | 13 |
| Sry13 | Sr | y | 13 |
| Srz13 | Sr | z | 13 |
| Srx14 | Sr | x | 14 |
| Sry14 | Sr | y | 14 |
| Srz14 | Sr | z | 14 |
| Srx15 | Sr | x | 15 |
| Sry15 | Sr | y | 15 |
| Srz15 | Sr | z | 15 |
| Srx16 | Sr | x | 16 |
| Sry16 | Sr | y | 16 |
| Srz16 | Sr | z | 16 |
| Srx17 | Sr | x | 17 |
| Sry17 | Sr | y | 17 |
| Srz17 | Sr | z | 17 |
| Srx18 | Sr | x | 18 |
| Sry18 | Sr | y | 18 |
| Srz18 | Sr | z | 18 |
| Srx19 | Sr | x | 19 |
| Sry19 | Sr | y | 19 |
| Srz19 | Sr | z | 19 |
| Srx20 | Sr | x | 20 |
| Sry20 | Sr | y | 20 |
| Srz20 | Sr | z | 20 |
| Srx21 | Sr | x | 21 |
| Sry21 | Sr | y | 21 |
| Srz21 | Sr | z | 21 |
| Srx22 | Sr | x | 22 |
| Sry22 | Sr | y | 22 |
| Srz22 | Sr | z | 22 |
| Srx23 | Sr | x | 23 |
| Sry23 | Sr | y | 23 |
| Srz23 | Sr | z | 23 |
| Srx24 | Sr | x | 24 |
| Sry24 | Sr | y | 24 |
| Srz24 | Sr | z | 24 |
| Srx25 | Sr | x | 25 |
| Sry25 | Sr | y | 25 |
| Srz25 | Sr | z | 25 |
| Srx26 | Sr | x | 26 |
| Sry26 | Sr | y | 26 |
| Srz26 | Sr | z | 26 |
| Srx27 | Sr | x | 27 |
| Sry27 | Sr | y | 27 |
| Srz27 | Sr | z | 27 |
| Srx28 | Sr | x | 28 |
| Sry28 | Sr | y | 28 |
| Srz28 | Sr | z | 28 |
| Srx29 | Sr | x | 29 |
| Sry29 | Sr | y | 29 |
| Srz29 | Sr | z | 29 |
| Srx30 | Sr | x | 30 |
| Sry30 | Sr | y | 30 |
| Srz30 | Sr | z | 30 |
| Srx31 | Sr | x | 31 |
| Sry31 | Sr | y | 31 |
| Srz31 | Sr | z | 31 |
| Srx32 | Sr | x | 32 |
| Sry32 | Sr | y | 32 |
| Srz32 | Sr | z | 32 |
| Srx33 | Sr | x | 33 |
| Sry33 | Sr | y | 33 |
| Srz33 | Sr | z | 33 |
| Srx34 | Sr | x | 34 |
| Sry34 | Sr | y | 34 |
| Srz34 | Sr | z | 34 |
| Srx35 | Sr | x | 35 |
| Sry35 | Sr | y | 35 |
| Srz35 | Sr | z | 35 |
| Srx36 | Sr | x | 36 |
| Sry36 | Sr | y | 36 |
| Srz36 | Sr | z | 36 |
| Srx37 | Sr | x | 37 |
| Sry37 | Sr | y | 37 |
| Srz37 | Sr | z | 37 |
| Srx38 | Sr | x | 38 |
| Sry38 | Sr | y | 38 |
| Srz38 | Sr | z | 38 |
| Srx39 | Sr | x | 39 |
| Sry39 | Sr | y | 39 |
| Srz39 | Sr | z | 39 |
| Srx40 | Sr | x | 40 |
| Sry40 | Sr | y | 40 |
| Srz40 | Sr | z | 40 |
| Bix1 | Bi | x | 1 |
| Biy1 | Bi | y | 1 |
| Biz1 | Bi | z | 1 |
| Bix2 | Bi | x | 2 |
| Biy2 | Bi | y | 2 |
| Biz2 | Bi | z | 2 |
| Bix3 | Bi | x | 3 |
| Biy3 | Bi | y | 3 |
| Biz3 | Bi | z | 3 |
| Bix4 | Bi | x | 4 |
| Biy4 | Bi | y | 4 |
| Biz4 | Bi | z | 4 |
| Bix5 | Bi | x | 5 |
| Biy5 | Bi | y | 5 |
| Biz5 | Bi | z | 5 |
| Bix6 | Bi | x | 6 |
| Biy6 | Bi | y | 6 |
| Biz6 | Bi | z | 6 |
| Bix7 | Bi | x | 7 |
| Biy7 | Bi | y | 7 |
| Biz7 | Bi | z | 7 |
| Bix8 | Bi | x | 8 |
| Biy8 | Bi | y | 8 |
| Biz8 | Bi | z | 8 |
| Bix9 | Bi | x | 9 |
| Biy9 | Bi | y | 9 |
| Biz9 | Bi | z | 9 |
| Bix10 | Bi | x | 10 |
| Biy10 | Bi | y | 10 |
| Biz10 | Bi | z | 10 |
| Bix11 | Bi | x | 11 |
| Biy11 | Bi | y | 11 |
| Biz11 | Bi | z | 11 |
| Bix12 | Bi | x | 12 |
| Biy12 | Bi | y | 12 |
| Biz12 | Bi | z | 12 |
| Bix13 | Bi | x | 13 |
| Biy13 | Bi | y | 13 |
| Biz13 | Bi | z | 13 |
| Bix14 | Bi | x | 14 |
| Biy14 | Bi | y | 14 |
| Biz14 | Bi | z | 14 |
| Bix15 | Bi | x | 15 |
| Biy15 | Bi | y | 15 |
| Biz15 | Bi | z | 15 |
| Bix16 | Bi | x | 16 |
| Biy16 | Bi | y | 16 |
| Biz16 | Bi | z | 16 |
| Bix17 | Bi | x | 17 |
| Biy17 | Bi | y | 17 |
| Biz17 | Bi | z | 17 |
| Bix18 | Bi | x | 18 |
| Biy18 | Bi | y | 18 |
| Biz18 | Bi | z | 18 |
| Bix19 | Bi | x | 19 |
| Biy19 | Bi | y | 19 |
| Biz19 | Bi | z | 19 |
| Bix20 | Bi | x | 20 |
| Biy20 | Bi | y | 20 |
| Biz20 | Bi | z | 20 |
| Bix21 | Bi | x | 21 |
| Biy21 | Bi | y | 21 |
| Biz21 | Bi | z | 21 |
| Bix22 | Bi | x | 22 |
| Biy22 | Bi | y | 22 |
| Biz22 | Bi | z | 22 |
| Bix23 | Bi | x | 23 |
| Biy23 | Bi | y | 23 |
| Biz23 | Bi | z | 23 |
| Bix24 | Bi | x | 24 |
| Biy24 | Bi | y | 24 |
| Biz24 | Bi | z | 24 |
| Bix25 | Bi | x | 25 |
| Biy25 | Bi | y | 25 |
| Biz25 | Bi | z | 25 |
| Bix26 | Bi | x | 26 |
| Biy26 | Bi | y | 26 |
| Biz26 | Bi | z | 26 |
| Bix27 | Bi | x | 27 |
| Biy27 | Bi | y | 27 |
| Biz27 | Bi | z | 27 |
| Bix28 | Bi | x | 28 |
| Biy28 | Bi | y | 28 |
| Biz28 | Bi | z | 28 |
| Bix29 | Bi | x | 29 |
| Biy29 | Bi | y | 29 |
| Biz29 | Bi | z | 29 |
| Bix30 | Bi | x | 30 |
| Biy30 | Bi | y | 30 |
| Biz30 | Bi | z | 30 |
| Bix31 | Bi | x | 31 |
| Biy31 | Bi | y | 31 |
| Biz31 | Bi | z | 31 |
| Bix32 | Bi | x | 32 |
| Biy32 | Bi | y | 32 |
| Biz32 | Bi | z | 32 |
| Bix33 | Bi | x | 33 |
| Biy33 | Bi | y | 33 |
| Biz33 | Bi | z | 33 |
| Bix34 | Bi | x | 34 |
| Biy34 | Bi | y | 34 |
| Biz34 | Bi | z | 34 |
| Bix35 | Bi | x | 35 |
| Biy35 | Bi | y | 35 |
| Biz35 | Bi | z | 35 |
| Bix36 | Bi | x | 36 |
| Biy36 | Bi | y | 36 |
| Biz36 | Bi | z | 36 |
| Bix37 | Bi | x | 37 |
| Biy37 | Bi | y | 37 |
| Biz37 | Bi | z | 37 |
| Bix38 | Bi | x | 38 |
| Biy38 | Bi | y | 38 |
| Biz38 | Bi | z | 38 |
| Bix39 | Bi | x | 39 |
| Biy39 | Bi | y | 39 |
| Biz39 | Bi | z | 39 |
| Bix40 | Bi | x | 40 |
| Biy40 | Bi | y | 40 |
| Biz40 | Bi | z | 40 |
| Fex1 | Fe | x | 1 |
| Fey1 | Fe | y | 1 |
| Fez1 | Fe | z | 1 |
| Fex2 | Fe | x | 2 |
| Fey2 | Fe | y | 2 |
| Fez2 | Fe | z | 2 |
| Fex3 | Fe | x | 3 |
| Fey3 | Fe | y | 3 |
| Fez3 | Fe | z | 3 |
| Fex4 | Fe | x | 4 |
| Fey4 | Fe | y | 4 |
| Fez4 | Fe | z | 4 |
| Fex5 | Fe | x | 5 |
| Fey5 | Fe | y | 5 |
| Fez5 | Fe | z | 5 |
| Fex6 | Fe | x | 6 |
| Fey6 | Fe | y | 6 |
| Fez6 | Fe | z | 6 |
| Fex7 | Fe | x | 7 |
| Fey7 | Fe | y | 7 |
| Fez7 | Fe | z | 7 |
| Fex8 | Fe | x | 8 |
| Fey8 | Fe | y | 8 |
| Fez8 | Fe | z | 8 |
| Fex9 | Fe | x | 9 |
| Fey9 | Fe | y | 9 |
| Fez9 | Fe | z | 9 |
| Fex10 | Fe | x | 10 |
| Fey10 | Fe | y | 10 |
| Fez10 | Fe | z | 10 |
| Fex11 | Fe | x | 11 |
| Fey11 | Fe | y | 11 |
| Fez11 | Fe | z | 11 |
| Fex12 | Fe | x | 12 |
| Fey12 | Fe | y | 12 |
| Fez12 | Fe | z | 12 |
| Fex13 | Fe | x | 13 |
| Fey13 | Fe | y | 13 |
| Fez13 | Fe | z | 13 |
| Fex14 | Fe | x | 14 |
| Fey14 | Fe | y | 14 |
| Fez14 | Fe | z | 14 |
| Fex15 | Fe | x | 15 |
| Fey15 | Fe | y | 15 |
| Fez15 | Fe | z | 15 |
| Fex16 | Fe | x | 16 |
| Fey16 | Fe | y | 16 |
| Fez16 | Fe | z | 16 |
| Fex17 | Fe | x | 17 |
| Fey17 | Fe | y | 17 |
| Fez17 | Fe | z | 17 |
| Fex18 | Fe | x | 18 |
| Fey18 | Fe | y | 18 |
| Fez18 | Fe | z | 18 |
| Fex19 | Fe | x | 19 |
| Fey19 | Fe | y | 19 |
| Fez19 | Fe | z | 19 |
| Fex20 | Fe | x | 20 |
| Fey20 | Fe | y | 20 |
| Fez20 | Fe | z | 20 |
| Fex21 | Fe | x | 21 |
| Fey21 | Fe | y | 21 |
| Fez21 | Fe | z | 21 |
| Fex22 | Fe | x | 22 |
| Fey22 | Fe | y | 22 |
| Fez22 | Fe | z | 22 |
| Fex23 | Fe | x | 23 |
| Fey23 | Fe | y | 23 |
| Fez23 | Fe | z | 23 |
| Fex24 | Fe | x | 24 |
| Fey24 | Fe | y | 24 |
| Fez24 | Fe | z | 24 |
| Fex25 | Fe | x | 25 |
| Fey25 | Fe | y | 25 |
| Fez25 | Fe | z | 25 |
| Fex26 | Fe | x | 26 |
| Fey26 | Fe | y | 26 |
| Fez26 | Fe | z | 26 |
| Fex27 | Fe | x | 27 |
| Fey27 | Fe | y | 27 |
| Fez27 | Fe | z | 27 |
| Fex28 | Fe | x | 28 |
| Fey28 | Fe | y | 28 |
| Fez28 | Fe | z | 28 |
| Fex29 | Fe | x | 29 |
| Fey29 | Fe | y | 29 |
| Fez29 | Fe | z | 29 |
| Fex30 | Fe | x | 30 |
| Fey30 | Fe | y | 30 |
| Fez30 | Fe | z | 30 |
| Fex31 | Fe | x | 31 |
| Fey31 | Fe | y | 31 |
| Fez31 | Fe | z | 31 |
| Fex32 | Fe | x | 32 |
| Fey32 | Fe | y | 32 |
| Fez32 | Fe | z | 32 |
| Fex33 | Fe | x | 33 |
| Fey33 | Fe | y | 33 |
| Fez33 | Fe | z | 33 |
| Fex34 | Fe | x | 34 |
| Fey34 | Fe | y | 34 |
| Fez34 | Fe | z | 34 |
| Fex35 | Fe | x | 35 |
| Fey35 | Fe | y | 35 |
| Fez35 | Fe | z | 35 |
| Fex36 | Fe | x | 36 |
| Fey36 | Fe | y | 36 |
| Fez36 | Fe | z | 36 |
| Fex37 | Fe | x | 37 |
| Fey37 | Fe | y | 37 |
| Fez37 | Fe | z | 37 |
| Fex38 | Fe | x | 38 |
| Fey38 | Fe | y | 38 |
| Fez38 | Fe | z | 38 |
| Fex39 | Fe | x | 39 |
| Fey39 | Fe | y | 39 |
| Fez39 | Fe | z | 39 |
| Fex40 | Fe | x | 40 |
| Fey40 | Fe | y | 40 |
| Fez40 | Fe | z | 40 |
Displacive (translational) Fourier coefficients: (Show/hide table) [ Help ]
| Modulation code | Cosine coefficient | Sine coefficient |
|---|---|---|
| Srx1 | 0 | 0 |
| Sry1 | 0 | 0.00834(9) |
| Srz1 | 0 | 0 |
| Srx2 | 0 | -0.00588(13) |
| Sry2 | 0 | 0 |
| Srz2 | 0 | -0.03459(14) |
| Srx3 | 0 | 0 |
| Sry3 | 0 | 0.00963(10) |
| Srz3 | 0 | 0 |
| Srx4 | 0 | -0.19288(15) |
| Sry4 | 0 | 0 |
| Srz4 | 0 | 0.09113(17) |
| Srx5 | 0 | 0 |
| Sry5 | 0 | -0.00543(11) |
| Srz5 | 0 | 0 |
| Srx6 | 0 | 0.04458(16) |
| Sry6 | 0 | 0 |
| Srz6 | 0 | -0.02751(18) |
| Srx7 | 0 | 0 |
| Sry7 | 0 | -0.00775(9) |
| Srz7 | 0 | 0 |
| Srx8 | 0 | 0.03134(16) |
| Sry8 | 0 | 0 |
| Srz8 | 0 | -0.00550(17) |
| Srx9 | 0 | 0 |
| Sry9 | 0 | -0.00227(11) |
| Srz9 | 0 | 0 |
| Srx10 | 0 | -0.04928(15) |
| Sry10 | 0 | 0 |
| Srz10 | 0 | 0.07792(16) |
| Srx11 | 0 | 0 |
| Sry11 | 0 | 0.00531(12) |
| Srz11 | 0 | 0 |
| Srx12 | 0 | -0.00695(16) |
| Sry12 | 0 | 0 |
| Srz12 | 0 | 0.01154(18) |
| Srx13 | 0 | 0 |
| Sry13 | 0 | 0.00126(15) |
| Srz13 | 0 | 0 |
| Srx14 | 0 | -0.00975(15) |
| Sry14 | 0 | 0 |
| Srz14 | 0 | -0.00256(17) |
| Srx15 | 0 | 0 |
| Sry15 | 0 | -0.00256(14) |
| Srz15 | 0 | 0 |
| Srx16 | 0 | 0.00015(16) |
| Sry16 | 0 | 0 |
| Srz16 | 0 | -0.00640(17) |
| Srx17 | 0 | 0 |
| Sry17 | 0 | 0.00008(16) |
| Srz17 | 0 | 0 |
| Srx18 | 0 | -0.02626(16) |
| Sry18 | 0 | 0 |
| Srz18 | 0 | 0.01131(17) |
| Srx19 | 0 | 0 |
| Sry19 | 0 | 0.00030(17) |
| Srz19 | 0 | 0 |
| Srx20 | 0 | 0.00974(16) |
| Sry20 | 0 | 0 |
| Srz20 | 0 | -0.00413(18) |
| Srx21 | 0 | 0 |
| Sry21 | 0 | -0.00160(18) |
| Srz21 | 0 | 0 |
| Srx22 | 0 | 0.00605(17) |
| Sry22 | 0 | 0 |
| Srz22 | 0 | -0.00272(19) |
| Srx23 | 0 | 0 |
| Sry23 | 0 | 0.0001(2) |
| Srz23 | 0 | 0 |
| Srx24 | 0 | -0.00970(17) |
| Sry24 | 0 | 0 |
| Srz24 | 0 | 0.01462(19) |
| Srx25 | 0 | 0 |
| Sry25 | 0 | 0.00063(18) |
| Srz25 | 0 | 0 |
| Srx26 | 0 | -0.00439(17) |
| Sry26 | 0 | 0 |
| Srz26 | 0 | 0.00544(19) |
| Srx27 | 0 | 0 |
| Sry27 | 0 | 0.0003(2) |
| Srz27 | 0 | 0 |
| Srx28 | 0 | 0.00146(18) |
| Sry28 | 0 | 0 |
| Srz28 | 0 | -0.0026(2) |
| Srx29 | 0 | 0 |
| Sry29 | 0 | 0.0020(2) |
| Srz29 | 0 | 0 |
| Srx30 | 0 | -0.00018(18) |
| Sry30 | 0 | 0 |
| Srz30 | 0 | 0.0010(2) |
| Srx31 | 0 | 0 |
| Sry31 | 0 | 0.0007(2) |
| Srz31 | 0 | 0 |
| Srx32 | 0 | -0.00735(19) |
| Sry32 | 0 | 0 |
| Srz32 | 0 | 0.0055(2) |
| Srx33 | 0 | 0 |
| Sry33 | 0 | 0.0021(2) |
| Srz33 | 0 | 0 |
| Srx34 | 0 | 0.00470(18) |
| Sry34 | 0 | 0 |
| Srz34 | 0 | -0.0015(2) |
| Srx35 | 0 | 0 |
| Sry35 | 0 | 0.0010(2) |
| Srz35 | 0 | 0 |
| Srx36 | 0 | 0.00372(18) |
| Sry36 | 0 | 0 |
| Srz36 | 0 | -0.0021(2) |
| Srx37 | 0 | 0 |
| Sry37 | 0 | 0.0021(2) |
| Srz37 | 0 | 0 |
| Srx38 | 0 | -0.00475(17) |
| Sry38 | 0 | 0 |
| Srz38 | 0 | 0.0041(2) |
| Srx39 | 0 | 0 |
| Sry39 | 0 | -0.0027(2) |
| Srz39 | 0 | 0 |
| Srx40 | 0 | -0.00481(19) |
| Sry40 | 0 | 0 |
| Srz40 | 0 | 0.0009(2) |
| Bix1 | 0 | 0 |
| Biy1 | 0 | 0.00834(9) |
| Biz1 | 0 | 0 |
| Bix2 | 0 | -0.00588(13) |
| Biy2 | 0 | 0 |
| Biz2 | 0 | -0.03459(14) |
| Bix3 | 0 | 0 |
| Biy3 | 0 | 0.00963(10) |
| Biz3 | 0 | 0 |
| Bix4 | 0 | -0.19288(15) |
| Biy4 | 0 | 0 |
| Biz4 | 0 | 0.09113(17) |
| Bix5 | 0 | 0 |
| Biy5 | 0 | -0.00543(11) |
| Biz5 | 0 | 0 |
| Bix6 | 0 | 0.04458(16) |
| Biy6 | 0 | 0 |
| Biz6 | 0 | -0.02751(18) |
| Bix7 | 0 | 0 |
| Biy7 | 0 | -0.00775(9) |
| Biz7 | 0 | 0 |
| Bix8 | 0 | 0.03134(16) |
| Biy8 | 0 | 0 |
| Biz8 | 0 | -0.00550(17) |
| Bix9 | 0 | 0 |
| Biy9 | 0 | -0.00227(11) |
| Biz9 | 0 | 0 |
| Bix10 | 0 | -0.04928(15) |
| Biy10 | 0 | 0 |
| Biz10 | 0 | 0.07792(16) |
| Bix11 | 0 | 0 |
| Biy11 | 0 | 0.00531(12) |
| Biz11 | 0 | 0 |
| Bix12 | 0 | -0.00695(16) |
| Biy12 | 0 | 0 |
| Biz12 | 0 | 0.01154(18) |
| Bix13 | 0 | 0 |
| Biy13 | 0 | 0.00126(15) |
| Biz13 | 0 | 0 |
| Bix14 | 0 | -0.00975(15) |
| Biy14 | 0 | 0 |
| Biz14 | 0 | -0.00256(17) |
| Bix15 | 0 | 0 |
| Biy15 | 0 | -0.00256(14) |
| Biz15 | 0 | 0 |
| Bix16 | 0 | 0.00015(16) |
| Biy16 | 0 | 0 |
| Biz16 | 0 | -0.00640(17) |
| Bix17 | 0 | 0 |
| Biy17 | 0 | 0.00008(16) |
| Biz17 | 0 | 0 |
| Bix18 | 0 | -0.02626(16) |
| Biy18 | 0 | 0 |
| Biz18 | 0 | 0.01131(17) |
| Bix19 | 0 | 0 |
| Biy19 | 0 | 0.00030(17) |
| Biz19 | 0 | 0 |
| Bix20 | 0 | 0.00974(16) |
| Biy20 | 0 | 0 |
| Biz20 | 0 | -0.00413(18) |
| Bix21 | 0 | 0 |
| Biy21 | 0 | -0.00160(18) |
| Biz21 | 0 | 0 |
| Bix22 | 0 | 0.00605(17) |
| Biy22 | 0 | 0 |
| Biz22 | 0 | -0.00272(19) |
| Bix23 | 0 | 0 |
| Biy23 | 0 | 0.0001(2) |
| Biz23 | 0 | 0 |
| Bix24 | 0 | -0.00970(17) |
| Biy24 | 0 | 0 |
| Biz24 | 0 | 0.01462(19) |
| Bix25 | 0 | 0 |
| Biy25 | 0 | 0.00063(18) |
| Biz25 | 0 | 0 |
| Bix26 | 0 | -0.00439(17) |
| Biy26 | 0 | 0 |
| Biz26 | 0 | 0.00544(19) |
| Bix27 | 0 | 0 |
| Biy27 | 0 | 0.0003(2) |
| Biz27 | 0 | 0 |
| Bix28 | 0 | 0.00146(18) |
| Biy28 | 0 | 0 |
| Biz28 | 0 | -0.0026(2) |
| Bix29 | 0 | 0 |
| Biy29 | 0 | 0.0020(2) |
| Biz29 | 0 | 0 |
| Bix30 | 0 | -0.00018(18) |
| Biy30 | 0 | 0 |
| Biz30 | 0 | 0.0010(2) |
| Bix31 | 0 | 0 |
| Biy31 | 0 | 0.0007(2) |
| Biz31 | 0 | 0 |
| Bix32 | 0 | -0.00735(19) |
| Biy32 | 0 | 0 |
| Biz32 | 0 | 0.0055(2) |
| Bix33 | 0 | 0 |
| Biy33 | 0 | 0.0021(2) |
| Biz33 | 0 | 0 |
| Bix34 | 0 | 0.00470(18) |
| Biy34 | 0 | 0 |
| Biz34 | 0 | -0.0015(2) |
| Bix35 | 0 | 0 |
| Biy35 | 0 | 0.0010(2) |
| Biz35 | 0 | 0 |
| Bix36 | 0 | 0.00372(18) |
| Biy36 | 0 | 0 |
| Biz36 | 0 | -0.0021(2) |
| Bix37 | 0 | 0 |
| Biy37 | 0 | 0.0021(2) |
| Biz37 | 0 | 0 |
| Bix38 | 0 | -0.00475(17) |
| Biy38 | 0 | 0 |
| Biz38 | 0 | 0.0041(2) |
| Bix39 | 0 | 0 |
| Biy39 | 0 | -0.0027(2) |
| Biz39 | 0 | 0 |
| Bix40 | 0 | -0.00481(19) |
| Biy40 | 0 | 0 |
| Biz40 | 0 | 0.0009(2) |
| Fex1 | 0 | 0 |
| Fey1 | 0 | 0.00834(9) |
| Fez1 | 0 | 0 |
| Fex2 | 0 | -0.00588(13) |
| Fey2 | 0 | 0 |
| Fez2 | 0 | -0.03459(14) |
| Fex3 | 0 | 0 |
| Fey3 | 0 | 0.00963(10) |
| Fez3 | 0 | 0 |
| Fex4 | 0 | -0.19288(15) |
| Fey4 | 0 | 0 |
| Fez4 | 0 | 0.09113(17) |
| Fex5 | 0 | 0 |
| Fey5 | 0 | -0.00543(11) |
| Fez5 | 0 | 0 |
| Fex6 | 0 | 0.04458(16) |
| Fey6 | 0 | 0 |
| Fez6 | 0 | -0.02751(18) |
| Fex7 | 0 | 0 |
| Fey7 | 0 | -0.00775(9) |
| Fez7 | 0 | 0 |
| Fex8 | 0 | 0.03134(16) |
| Fey8 | 0 | 0 |
| Fez8 | 0 | -0.00550(17) |
| Fex9 | 0 | 0 |
| Fey9 | 0 | -0.00227(11) |
| Fez9 | 0 | 0 |
| Fex10 | 0 | -0.04928(15) |
| Fey10 | 0 | 0 |
| Fez10 | 0 | 0.07792(16) |
| Fex11 | 0 | 0 |
| Fey11 | 0 | 0.00531(12) |
| Fez11 | 0 | 0 |
| Fex12 | 0 | -0.00695(16) |
| Fey12 | 0 | 0 |
| Fez12 | 0 | 0.01154(18) |
| Fex13 | 0 | 0 |
| Fey13 | 0 | 0.00126(15) |
| Fez13 | 0 | 0 |
| Fex14 | 0 | -0.00975(15) |
| Fey14 | 0 | 0 |
| Fez14 | 0 | -0.00256(17) |
| Fex15 | 0 | 0 |
| Fey15 | 0 | -0.00256(14) |
| Fez15 | 0 | 0 |
| Fex16 | 0 | 0.00015(16) |
| Fey16 | 0 | 0 |
| Fez16 | 0 | -0.00640(17) |
| Fex17 | 0 | 0 |
| Fey17 | 0 | 0.00008(16) |
| Fez17 | 0 | 0 |
| Fex18 | 0 | -0.02626(16) |
| Fey18 | 0 | 0 |
| Fez18 | 0 | 0.01131(17) |
| Fex19 | 0 | 0 |
| Fey19 | 0 | 0.00030(17) |
| Fez19 | 0 | 0 |
| Fex20 | 0 | 0.00974(16) |
| Fey20 | 0 | 0 |
| Fez20 | 0 | -0.00413(18) |
| Fex21 | 0 | 0 |
| Fey21 | 0 | -0.00160(18) |
| Fez21 | 0 | 0 |
| Fex22 | 0 | 0.00605(17) |
| Fey22 | 0 | 0 |
| Fez22 | 0 | -0.00272(19) |
| Fex23 | 0 | 0 |
| Fey23 | 0 | 0.0001(2) |
| Fez23 | 0 | 0 |
| Fex24 | 0 | -0.00970(17) |
| Fey24 | 0 | 0 |
| Fez24 | 0 | 0.01462(19) |
| Fex25 | 0 | 0 |
| Fey25 | 0 | 0.00063(18) |
| Fez25 | 0 | 0 |
| Fex26 | 0 | -0.00439(17) |
| Fey26 | 0 | 0 |
| Fez26 | 0 | 0.00544(19) |
| Fex27 | 0 | 0 |
| Fey27 | 0 | 0.0003(2) |
| Fez27 | 0 | 0 |
| Fex28 | 0 | 0.00146(18) |
| Fey28 | 0 | 0 |
| Fez28 | 0 | -0.0026(2) |
| Fex29 | 0 | 0 |
| Fey29 | 0 | 0.0020(2) |
| Fez29 | 0 | 0 |
| Fex30 | 0 | -0.00018(18) |
| Fey30 | 0 | 0 |
| Fez30 | 0 | 0.0010(2) |
| Fex31 | 0 | 0 |
| Fey31 | 0 | 0.0007(2) |
| Fez31 | 0 | 0 |
| Fex32 | 0 | -0.00735(19) |
| Fey32 | 0 | 0 |
| Fez32 | 0 | 0.0055(2) |
| Fex33 | 0 | 0 |
| Fey33 | 0 | 0.0021(2) |
| Fez33 | 0 | 0 |
| Fex34 | 0 | 0.00470(18) |
| Fey34 | 0 | 0 |
| Fez34 | 0 | -0.0015(2) |
| Fex35 | 0 | 0 |
| Fey35 | 0 | 0.0010(2) |
| Fez35 | 0 | 0 |
| Fex36 | 0 | 0.00372(18) |
| Fey36 | 0 | 0 |
| Fez36 | 0 | -0.0021(2) |
| Fex37 | 0 | 0 |
| Fey37 | 0 | 0.0021(2) |
| Fez37 | 0 | 0 |
| Fex38 | 0 | -0.00475(17) |
| Fey38 | 0 | 0 |
| Fez38 | 0 | 0.0041(2) |
| Fex39 | 0 | 0 |
| Fey39 | 0 | -0.0027(2) |
| Fez39 | 0 | 0 |
| Fex40 | 0 | -0.00481(19) |
| Fey40 | 0 | 0 |
| Fez40 | 0 | 0.0009(2) |
Displacive (translational) Legendre coefficients: (Show/hide table) [ Help ]
| Atom site label | Displacement axis | Polynomial order | Polynomial coeff. |
|---|---|---|---|
| O1 | x | 1 | 0.179(2) |
| O1 | y | 1 | 0 |
| O1 | z | 1 | -0.006(3) |
| O1 | x | 2 | 0 |
| O1 | y | 2 | -0.0741(19) |
| O1 | z | 2 | 0 |
| O1 | x | 3 | 0.257(4) |
| O1 | y | 3 | 0 |
| O1 | z | 3 | 0.124(4) |
| O1 | x | 4 | 0 |
| O1 | y | 4 | 0.021(3) |
| O1 | z | 4 | 0 |
| O1 | x | 5 | -0.146(5) |
| O1 | y | 5 | 0 |
| O1 | z | 5 | 0.121(5) |
| O1 | x | 6 | 0 |
| O1 | y | 6 | 0.030(4) |
| O1 | z | 6 | 0 |
| O1 | x | 7 | -0.039(6) |
| O1 | y | 7 | 0 |
| O1 | z | 7 | -0.024(7) |
| O1 | x | 8 | 0 |
| O1 | y | 8 | -0.019(5) |
| O1 | z | 8 | 0 |
| O1 | x | 9 | 0.054(7) |
| O1 | y | 9 | 0 |
| O1 | z | 9 | -0.141(7) |
| O1 | x | 10 | 0 |
| O1 | y | 10 | 0.029(5) |
| O1 | z | 10 | 0 |
| O2 | x | 1 | -0.084(2) |
| O2 | y | 1 | -0.0032(14) |
| O2 | z | 1 | 0.003(2) |
| O2 | x | 2 | 0.002(4) |
| O2 | y | 2 | -0.0100(19) |
| O2 | z | 2 | 0.006(4) |
| O2 | x | 3 | 0.080(3) |
| O2 | y | 3 | -0.007(2) |
| O2 | z | 3 | -0.080(4) |
| O2 | x | 4 | 0.003(6) |
| O2 | y | 4 | -0.010(3) |
| O2 | z | 4 | -0.006(6) |
Definition of the ADP Fourier series: (Show/hide table) [ Help ]
| Modulation code | Atom site label | Tensor element | Wave vector code |
|---|---|---|---|
| SrU111 | Sr | U11 | 1 |
| SrU221 | Sr | U22 | 1 |
| SrU331 | Sr | U33 | 1 |
| SrU121 | Sr | U12 | 1 |
| SrU131 | Sr | U13 | 1 |
| SrU231 | Sr | U23 | 1 |
| SrU112 | Sr | U11 | 2 |
| SrU222 | Sr | U22 | 2 |
| SrU332 | Sr | U33 | 2 |
| SrU122 | Sr | U12 | 2 |
| SrU132 | Sr | U13 | 2 |
| SrU232 | Sr | U23 | 2 |
| SrU113 | Sr | U11 | 3 |
| SrU223 | Sr | U22 | 3 |
| SrU333 | Sr | U33 | 3 |
| SrU123 | Sr | U12 | 3 |
| SrU133 | Sr | U13 | 3 |
| SrU233 | Sr | U23 | 3 |
| SrU114 | Sr | U11 | 4 |
| SrU224 | Sr | U22 | 4 |
| SrU334 | Sr | U33 | 4 |
| SrU124 | Sr | U12 | 4 |
| SrU134 | Sr | U13 | 4 |
| SrU234 | Sr | U23 | 4 |
| SrU115 | Sr | U11 | 5 |
| SrU225 | Sr | U22 | 5 |
| SrU335 | Sr | U33 | 5 |
| SrU125 | Sr | U12 | 5 |
| SrU135 | Sr | U13 | 5 |
| SrU235 | Sr | U23 | 5 |
| SrU116 | Sr | U11 | 6 |
| SrU226 | Sr | U22 | 6 |
| SrU336 | Sr | U33 | 6 |
| SrU126 | Sr | U12 | 6 |
| SrU136 | Sr | U13 | 6 |
| SrU236 | Sr | U23 | 6 |
| SrU117 | Sr | U11 | 7 |
| SrU227 | Sr | U22 | 7 |
| SrU337 | Sr | U33 | 7 |
| SrU127 | Sr | U12 | 7 |
| SrU137 | Sr | U13 | 7 |
| SrU237 | Sr | U23 | 7 |
| SrU118 | Sr | U11 | 8 |
| SrU228 | Sr | U22 | 8 |
| SrU338 | Sr | U33 | 8 |
| SrU128 | Sr | U12 | 8 |
| SrU138 | Sr | U13 | 8 |
| SrU238 | Sr | U23 | 8 |
| SrU119 | Sr | U11 | 9 |
| SrU229 | Sr | U22 | 9 |
| SrU339 | Sr | U33 | 9 |
| SrU129 | Sr | U12 | 9 |
| SrU139 | Sr | U13 | 9 |
| SrU239 | Sr | U23 | 9 |
| SrU1110 | Sr | U11 | 10 |
| SrU2210 | Sr | U22 | 10 |
| SrU3310 | Sr | U33 | 10 |
| SrU1210 | Sr | U12 | 10 |
| SrU1310 | Sr | U13 | 10 |
| SrU2310 | Sr | U23 | 10 |
| SrU1111 | Sr | U11 | 11 |
| SrU2211 | Sr | U22 | 11 |
| SrU3311 | Sr | U33 | 11 |
| SrU1211 | Sr | U12 | 11 |
| SrU1311 | Sr | U13 | 11 |
| SrU2311 | Sr | U23 | 11 |
| SrU1112 | Sr | U11 | 12 |
| SrU2212 | Sr | U22 | 12 |
| SrU3312 | Sr | U33 | 12 |
| SrU1212 | Sr | U12 | 12 |
| SrU1312 | Sr | U13 | 12 |
| SrU2312 | Sr | U23 | 12 |
| SrU1113 | Sr | U11 | 13 |
| SrU2213 | Sr | U22 | 13 |
| SrU3313 | Sr | U33 | 13 |
| SrU1213 | Sr | U12 | 13 |
| SrU1313 | Sr | U13 | 13 |
| SrU2313 | Sr | U23 | 13 |
| SrU1114 | Sr | U11 | 14 |
| SrU2214 | Sr | U22 | 14 |
| SrU3314 | Sr | U33 | 14 |
| SrU1214 | Sr | U12 | 14 |
| SrU1314 | Sr | U13 | 14 |
| SrU2314 | Sr | U23 | 14 |
| SrU1115 | Sr | U11 | 15 |
| SrU2215 | Sr | U22 | 15 |
| SrU3315 | Sr | U33 | 15 |
| SrU1215 | Sr | U12 | 15 |
| SrU1315 | Sr | U13 | 15 |
| SrU2315 | Sr | U23 | 15 |
| SrU1116 | Sr | U11 | 16 |
| SrU2216 | Sr | U22 | 16 |
| SrU3316 | Sr | U33 | 16 |
| SrU1216 | Sr | U12 | 16 |
| SrU1316 | Sr | U13 | 16 |
| SrU2316 | Sr | U23 | 16 |
| SrU1117 | Sr | U11 | 17 |
| SrU2217 | Sr | U22 | 17 |
| SrU3317 | Sr | U33 | 17 |
| SrU1217 | Sr | U12 | 17 |
| SrU1317 | Sr | U13 | 17 |
| SrU2317 | Sr | U23 | 17 |
| SrU1118 | Sr | U11 | 18 |
| SrU2218 | Sr | U22 | 18 |
| SrU3318 | Sr | U33 | 18 |
| SrU1218 | Sr | U12 | 18 |
| SrU1318 | Sr | U13 | 18 |
| SrU2318 | Sr | U23 | 18 |
| SrU1119 | Sr | U11 | 19 |
| SrU2219 | Sr | U22 | 19 |
| SrU3319 | Sr | U33 | 19 |
| SrU1219 | Sr | U12 | 19 |
| SrU1319 | Sr | U13 | 19 |
| SrU2319 | Sr | U23 | 19 |
| SrU1120 | Sr | U11 | 20 |
| SrU2220 | Sr | U22 | 20 |
| SrU3320 | Sr | U33 | 20 |
| SrU1220 | Sr | U12 | 20 |
| SrU1320 | Sr | U13 | 20 |
| SrU2320 | Sr | U23 | 20 |
| BiU111 | Bi | U11 | 1 |
| BiU221 | Bi | U22 | 1 |
| BiU331 | Bi | U33 | 1 |
| BiU121 | Bi | U12 | 1 |
| BiU131 | Bi | U13 | 1 |
| BiU231 | Bi | U23 | 1 |
| BiU112 | Bi | U11 | 2 |
| BiU222 | Bi | U22 | 2 |
| BiU332 | Bi | U33 | 2 |
| BiU122 | Bi | U12 | 2 |
| BiU132 | Bi | U13 | 2 |
| BiU232 | Bi | U23 | 2 |
| BiU113 | Bi | U11 | 3 |
| BiU223 | Bi | U22 | 3 |
| BiU333 | Bi | U33 | 3 |
| BiU123 | Bi | U12 | 3 |
| BiU133 | Bi | U13 | 3 |
| BiU233 | Bi | U23 | 3 |
| BiU114 | Bi | U11 | 4 |
| BiU224 | Bi | U22 | 4 |
| BiU334 | Bi | U33 | 4 |
| BiU124 | Bi | U12 | 4 |
| BiU134 | Bi | U13 | 4 |
| BiU234 | Bi | U23 | 4 |
| BiU115 | Bi | U11 | 5 |
| BiU225 | Bi | U22 | 5 |
| BiU335 | Bi | U33 | 5 |
| BiU125 | Bi | U12 | 5 |
| BiU135 | Bi | U13 | 5 |
| BiU235 | Bi | U23 | 5 |
| BiU116 | Bi | U11 | 6 |
| BiU226 | Bi | U22 | 6 |
| BiU336 | Bi | U33 | 6 |
| BiU126 | Bi | U12 | 6 |
| BiU136 | Bi | U13 | 6 |
| BiU236 | Bi | U23 | 6 |
| BiU117 | Bi | U11 | 7 |
| BiU227 | Bi | U22 | 7 |
| BiU337 | Bi | U33 | 7 |
| BiU127 | Bi | U12 | 7 |
| BiU137 | Bi | U13 | 7 |
| BiU237 | Bi | U23 | 7 |
| BiU118 | Bi | U11 | 8 |
| BiU228 | Bi | U22 | 8 |
| BiU338 | Bi | U33 | 8 |
| BiU128 | Bi | U12 | 8 |
| BiU138 | Bi | U13 | 8 |
| BiU238 | Bi | U23 | 8 |
| BiU119 | Bi | U11 | 9 |
| BiU229 | Bi | U22 | 9 |
| BiU339 | Bi | U33 | 9 |
| BiU129 | Bi | U12 | 9 |
| BiU139 | Bi | U13 | 9 |
| BiU239 | Bi | U23 | 9 |
| BiU1110 | Bi | U11 | 10 |
| BiU2210 | Bi | U22 | 10 |
| BiU3310 | Bi | U33 | 10 |
| BiU1210 | Bi | U12 | 10 |
| BiU1310 | Bi | U13 | 10 |
| BiU2310 | Bi | U23 | 10 |
| BiU1111 | Bi | U11 | 11 |
| BiU2211 | Bi | U22 | 11 |
| BiU3311 | Bi | U33 | 11 |
| BiU1211 | Bi | U12 | 11 |
| BiU1311 | Bi | U13 | 11 |
| BiU2311 | Bi | U23 | 11 |
| BiU1112 | Bi | U11 | 12 |
| BiU2212 | Bi | U22 | 12 |
| BiU3312 | Bi | U33 | 12 |
| BiU1212 | Bi | U12 | 12 |
| BiU1312 | Bi | U13 | 12 |
| BiU2312 | Bi | U23 | 12 |
| BiU1113 | Bi | U11 | 13 |
| BiU2213 | Bi | U22 | 13 |
| BiU3313 | Bi | U33 | 13 |
| BiU1213 | Bi | U12 | 13 |
| BiU1313 | Bi | U13 | 13 |
| BiU2313 | Bi | U23 | 13 |
| BiU1114 | Bi | U11 | 14 |
| BiU2214 | Bi | U22 | 14 |
| BiU3314 | Bi | U33 | 14 |
| BiU1214 | Bi | U12 | 14 |
| BiU1314 | Bi | U13 | 14 |
| BiU2314 | Bi | U23 | 14 |
| BiU1115 | Bi | U11 | 15 |
| BiU2215 | Bi | U22 | 15 |
| BiU3315 | Bi | U33 | 15 |
| BiU1215 | Bi | U12 | 15 |
| BiU1315 | Bi | U13 | 15 |
| BiU2315 | Bi | U23 | 15 |
| BiU1116 | Bi | U11 | 16 |
| BiU2216 | Bi | U22 | 16 |
| BiU3316 | Bi | U33 | 16 |
| BiU1216 | Bi | U12 | 16 |
| BiU1316 | Bi | U13 | 16 |
| BiU2316 | Bi | U23 | 16 |
| BiU1117 | Bi | U11 | 17 |
| BiU2217 | Bi | U22 | 17 |
| BiU3317 | Bi | U33 | 17 |
| BiU1217 | Bi | U12 | 17 |
| BiU1317 | Bi | U13 | 17 |
| BiU2317 | Bi | U23 | 17 |
| BiU1118 | Bi | U11 | 18 |
| BiU2218 | Bi | U22 | 18 |
| BiU3318 | Bi | U33 | 18 |
| BiU1218 | Bi | U12 | 18 |
| BiU1318 | Bi | U13 | 18 |
| BiU2318 | Bi | U23 | 18 |
| BiU1119 | Bi | U11 | 19 |
| BiU2219 | Bi | U22 | 19 |
| BiU3319 | Bi | U33 | 19 |
| BiU1219 | Bi | U12 | 19 |
| BiU1319 | Bi | U13 | 19 |
| BiU2319 | Bi | U23 | 19 |
| BiU1120 | Bi | U11 | 20 |
| BiU2220 | Bi | U22 | 20 |
| BiU3320 | Bi | U33 | 20 |
| BiU1220 | Bi | U12 | 20 |
| BiU1320 | Bi | U13 | 20 |
| BiU2320 | Bi | U23 | 20 |
| FeU111 | Fe | U11 | 1 |
| FeU221 | Fe | U22 | 1 |
| FeU331 | Fe | U33 | 1 |
| FeU121 | Fe | U12 | 1 |
| FeU131 | Fe | U13 | 1 |
| FeU231 | Fe | U23 | 1 |
| FeU112 | Fe | U11 | 2 |
| FeU222 | Fe | U22 | 2 |
| FeU332 | Fe | U33 | 2 |
| FeU122 | Fe | U12 | 2 |
| FeU132 | Fe | U13 | 2 |
| FeU232 | Fe | U23 | 2 |
| FeU113 | Fe | U11 | 3 |
| FeU223 | Fe | U22 | 3 |
| FeU333 | Fe | U33 | 3 |
| FeU123 | Fe | U12 | 3 |
| FeU133 | Fe | U13 | 3 |
| FeU233 | Fe | U23 | 3 |
| FeU114 | Fe | U11 | 4 |
| FeU224 | Fe | U22 | 4 |
| FeU334 | Fe | U33 | 4 |
| FeU124 | Fe | U12 | 4 |
| FeU134 | Fe | U13 | 4 |
| FeU234 | Fe | U23 | 4 |
| FeU115 | Fe | U11 | 5 |
| FeU225 | Fe | U22 | 5 |
| FeU335 | Fe | U33 | 5 |
| FeU125 | Fe | U12 | 5 |
| FeU135 | Fe | U13 | 5 |
| FeU235 | Fe | U23 | 5 |
| FeU116 | Fe | U11 | 6 |
| FeU226 | Fe | U22 | 6 |
| FeU336 | Fe | U33 | 6 |
| FeU126 | Fe | U12 | 6 |
| FeU136 | Fe | U13 | 6 |
| FeU236 | Fe | U23 | 6 |
| FeU117 | Fe | U11 | 7 |
| FeU227 | Fe | U22 | 7 |
| FeU337 | Fe | U33 | 7 |
| FeU127 | Fe | U12 | 7 |
| FeU137 | Fe | U13 | 7 |
| FeU237 | Fe | U23 | 7 |
| FeU118 | Fe | U11 | 8 |
| FeU228 | Fe | U22 | 8 |
| FeU338 | Fe | U33 | 8 |
| FeU128 | Fe | U12 | 8 |
| FeU138 | Fe | U13 | 8 |
| FeU238 | Fe | U23 | 8 |
| FeU119 | Fe | U11 | 9 |
| FeU229 | Fe | U22 | 9 |
| FeU339 | Fe | U33 | 9 |
| FeU129 | Fe | U12 | 9 |
| FeU139 | Fe | U13 | 9 |
| FeU239 | Fe | U23 | 9 |
| FeU1110 | Fe | U11 | 10 |
| FeU2210 | Fe | U22 | 10 |
| FeU3310 | Fe | U33 | 10 |
| FeU1210 | Fe | U12 | 10 |
| FeU1310 | Fe | U13 | 10 |
| FeU2310 | Fe | U23 | 10 |
| FeU1111 | Fe | U11 | 11 |
| FeU2211 | Fe | U22 | 11 |
| FeU3311 | Fe | U33 | 11 |
| FeU1211 | Fe | U12 | 11 |
| FeU1311 | Fe | U13 | 11 |
| FeU2311 | Fe | U23 | 11 |
| FeU1112 | Fe | U11 | 12 |
| FeU2212 | Fe | U22 | 12 |
| FeU3312 | Fe | U33 | 12 |
| FeU1212 | Fe | U12 | 12 |
| FeU1312 | Fe | U13 | 12 |
| FeU2312 | Fe | U23 | 12 |
| FeU1113 | Fe | U11 | 13 |
| FeU2213 | Fe | U22 | 13 |
| FeU3313 | Fe | U33 | 13 |
| FeU1213 | Fe | U12 | 13 |
| FeU1313 | Fe | U13 | 13 |
| FeU2313 | Fe | U23 | 13 |
| FeU1114 | Fe | U11 | 14 |
| FeU2214 | Fe | U22 | 14 |
| FeU3314 | Fe | U33 | 14 |
| FeU1214 | Fe | U12 | 14 |
| FeU1314 | Fe | U13 | 14 |
| FeU2314 | Fe | U23 | 14 |
| FeU1115 | Fe | U11 | 15 |
| FeU2215 | Fe | U22 | 15 |
| FeU3315 | Fe | U33 | 15 |
| FeU1215 | Fe | U12 | 15 |
| FeU1315 | Fe | U13 | 15 |
| FeU2315 | Fe | U23 | 15 |
| FeU1116 | Fe | U11 | 16 |
| FeU2216 | Fe | U22 | 16 |
| FeU3316 | Fe | U33 | 16 |
| FeU1216 | Fe | U12 | 16 |
| FeU1316 | Fe | U13 | 16 |
| FeU2316 | Fe | U23 | 16 |
| FeU1117 | Fe | U11 | 17 |
| FeU2217 | Fe | U22 | 17 |
| FeU3317 | Fe | U33 | 17 |
| FeU1217 | Fe | U12 | 17 |
| FeU1317 | Fe | U13 | 17 |
| FeU2317 | Fe | U23 | 17 |
| FeU1118 | Fe | U11 | 18 |
| FeU2218 | Fe | U22 | 18 |
| FeU3318 | Fe | U33 | 18 |
| FeU1218 | Fe | U12 | 18 |
| FeU1318 | Fe | U13 | 18 |
| FeU2318 | Fe | U23 | 18 |
| FeU1119 | Fe | U11 | 19 |
| FeU2219 | Fe | U22 | 19 |
| FeU3319 | Fe | U33 | 19 |
| FeU1219 | Fe | U12 | 19 |
| FeU1319 | Fe | U13 | 19 |
| FeU2319 | Fe | U23 | 19 |
| FeU1120 | Fe | U11 | 20 |
| FeU2220 | Fe | U22 | 20 |
| FeU3320 | Fe | U33 | 20 |
| FeU1220 | Fe | U12 | 20 |
| FeU1320 | Fe | U13 | 20 |
| FeU2320 | Fe | U23 | 20 |
ADP Fourier coefficients: (Show/hide table) [ Help ]
| Modulation code | Cosine coefficient | Sine coefficient |
|---|---|---|
| SrU111 | 0 | 0 |
| SrU221 | 0 | 0 |
| SrU331 | 0 | 0 |
| SrU121 | -0.0012(2) | 0 |
| SrU131 | 0 | 0 |
| SrU231 | 0.0001(2) | 0 |
| SrU112 | -0.0037(2) | 0 |
| SrU222 | 0.0005(2) | 0 |
| SrU332 | -0.0010(2) | 0 |
| SrU122 | 0 | 0 |
| SrU132 | 0.00383(19) | 0 |
| SrU232 | 0 | 0 |
| SrU113 | 0 | 0 |
| SrU223 | 0 | 0 |
| SrU333 | 0 | 0 |
| SrU123 | 0.0000(2) | 0 |
| SrU133 | 0 | 0 |
| SrU233 | 0.0009(2) | 0 |
| SrU114 | -0.0016(2) | 0 |
| SrU224 | -0.00257(19) | 0 |
| SrU334 | 0.0008(2) | 0 |
| SrU124 | 0 | 0 |
| SrU134 | -0.00183(16) | 0 |
| SrU234 | 0 | 0 |
| SrU115 | 0 | 0 |
| SrU225 | 0 | 0 |
| SrU335 | 0 | 0 |
| SrU125 | 0.0006(2) | 0 |
| SrU135 | 0 | 0 |
| SrU235 | -0.00032(19) | 0 |
| SrU116 | 0.0012(2) | 0 |
| SrU226 | -0.00268(17) | 0 |
| SrU336 | 0.0009(2) | 0 |
| SrU126 | 0 | 0 |
| SrU136 | -0.00507(16) | 0 |
| SrU236 | 0 | 0 |
| SrU117 | 0 | 0 |
| SrU227 | 0 | 0 |
| SrU337 | 0 | 0 |
| SrU127 | 0.0002(2) | 0 |
| SrU137 | 0 | 0 |
| SrU237 | 0.0005(2) | 0 |
| SrU118 | 0.00345(19) | 0 |
| SrU228 | 0.00235(18) | 0 |
| SrU338 | -0.0005(2) | 0 |
| SrU128 | 0 | 0 |
| SrU138 | 0.00013(16) | 0 |
| SrU238 | 0 | 0 |
| SrU119 | 0 | 0 |
| SrU229 | 0 | 0 |
| SrU339 | 0 | 0 |
| SrU129 | -0.0001(2) | 0 |
| SrU139 | 0 | 0 |
| SrU239 | -0.0003(2) | 0 |
| SrU1110 | -0.0006(2) | 0 |
| SrU2210 | 0.00065(20) | 0 |
| SrU3310 | -0.0013(2) | 0 |
| SrU1210 | 0 | 0 |
| SrU1310 | 0.00017(17) | 0 |
| SrU2310 | 0 | 0 |
| SrU1111 | 0 | 0 |
| SrU2211 | 0 | 0 |
| SrU3311 | 0 | 0 |
| SrU1211 | 0.0010(3) | 0 |
| SrU1311 | 0 | 0 |
| SrU2311 | -0.0003(2) | 0 |
| SrU1112 | 0.0006(2) | 0 |
| SrU2212 | -0.00026(19) | 0 |
| SrU3312 | -0.0013(2) | 0 |
| SrU1212 | 0 | 0 |
| SrU1312 | -0.00138(17) | 0 |
| SrU2312 | 0 | 0 |
| SrU1113 | 0 | 0 |
| SrU2213 | 0 | 0 |
| SrU3313 | 0 | 0 |
| SrU1213 | -0.0011(2) | 0 |
| SrU1313 | 0 | 0 |
| SrU2313 | 0.0002(2) | 0 |
| SrU1114 | 0.0054(2) | 0 |
| SrU2214 | 0.00216(19) | 0 |
| SrU3314 | 0.0031(2) | 0 |
| SrU1214 | 0 | 0 |
| SrU1314 | -0.00308(16) | 0 |
| SrU2314 | 0 | 0 |
| SrU1115 | 0 | 0 |
| SrU2215 | 0 | 0 |
| SrU3315 | 0 | 0 |
| SrU1215 | -0.0007(2) | 0 |
| SrU1315 | 0 | 0 |
| SrU2315 | 0.0000(2) | 0 |
| SrU1116 | -0.0018(2) | 0 |
| SrU2216 | 0.0002(2) | 0 |
| SrU3316 | 0.0003(2) | 0 |
| SrU1216 | 0 | 0 |
| SrU1316 | 0.00178(16) | 0 |
| SrU2316 | 0 | 0 |
| SrU1117 | 0 | 0 |
| SrU2217 | 0 | 0 |
| SrU3317 | 0 | 0 |
| SrU1217 | -0.0005(2) | 0 |
| SrU1317 | 0 | 0 |
| SrU2317 | 0.0006(2) | 0 |
| SrU1118 | 0.00271(17) | 0 |
| SrU2218 | -0.00099(19) | 0 |
| SrU3318 | 0.00094(19) | 0 |
| SrU1218 | 0 | 0 |
| SrU1318 | -0.00102(14) | 0 |
| SrU2318 | 0 | 0 |
| SrU1119 | 0 | 0 |
| SrU2219 | 0 | 0 |
| SrU3319 | 0 | 0 |
| SrU1219 | 0.0011(2) | 0 |
| SrU1319 | 0 | 0 |
| SrU2319 | -0.0002(2) | 0 |
| SrU1120 | -0.0015(2) | 0 |
| SrU2220 | -0.0018(2) | 0 |
| SrU3320 | 0.0030(2) | 0 |
| SrU1220 | 0 | 0 |
| SrU1320 | -0.00120(16) | 0 |
| SrU2320 | 0 | 0 |
| BiU111 | 0 | 0 |
| BiU221 | 0 | 0 |
| BiU331 | 0 | 0 |
| BiU121 | -0.0012(2) | 0 |
| BiU131 | 0 | 0 |
| BiU231 | 0.0001(2) | 0 |
| BiU112 | -0.0037(2) | 0 |
| BiU222 | 0.0005(2) | 0 |
| BiU332 | -0.0010(2) | 0 |
| BiU122 | 0 | 0 |
| BiU132 | 0.00383(19) | 0 |
| BiU232 | 0 | 0 |
| BiU113 | 0 | 0 |
| BiU223 | 0 | 0 |
| BiU333 | 0 | 0 |
| BiU123 | 0.0000(2) | 0 |
| BiU133 | 0 | 0 |
| BiU233 | 0.0009(2) | 0 |
| BiU114 | -0.0016(2) | 0 |
| BiU224 | -0.00257(19) | 0 |
| BiU334 | 0.0008(2) | 0 |
| BiU124 | 0 | 0 |
| BiU134 | -0.00183(16) | 0 |
| BiU234 | 0 | 0 |
| BiU115 | 0 | 0 |
| BiU225 | 0 | 0 |
| BiU335 | 0 | 0 |
| BiU125 | 0.0006(2) | 0 |
| BiU135 | 0 | 0 |
| BiU235 | -0.00032(19) | 0 |
| BiU116 | 0.0012(2) | 0 |
| BiU226 | -0.00268(17) | 0 |
| BiU336 | 0.0009(2) | 0 |
| BiU126 | 0 | 0 |
| BiU136 | -0.00507(16) | 0 |
| BiU236 | 0 | 0 |
| BiU117 | 0 | 0 |
| BiU227 | 0 | 0 |
| BiU337 | 0 | 0 |
| BiU127 | 0.0002(2) | 0 |
| BiU137 | 0 | 0 |
| BiU237 | 0.0005(2) | 0 |
| BiU118 | 0.00345(19) | 0 |
| BiU228 | 0.00235(18) | 0 |
| BiU338 | -0.0005(2) | 0 |
| BiU128 | 0 | 0 |
| BiU138 | 0.00013(16) | 0 |
| BiU238 | 0 | 0 |
| BiU119 | 0 | 0 |
| BiU229 | 0 | 0 |
| BiU339 | 0 | 0 |
| BiU129 | -0.0001(2) | 0 |
| BiU139 | 0 | 0 |
| BiU239 | -0.0003(2) | 0 |
| BiU1110 | -0.0006(2) | 0 |
| BiU2210 | 0.00065(20) | 0 |
| BiU3310 | -0.0013(2) | 0 |
| BiU1210 | 0 | 0 |
| BiU1310 | 0.00017(17) | 0 |
| BiU2310 | 0 | 0 |
| BiU1111 | 0 | 0 |
| BiU2211 | 0 | 0 |
| BiU3311 | 0 | 0 |
| BiU1211 | 0.0010(3) | 0 |
| BiU1311 | 0 | 0 |
| BiU2311 | -0.0003(2) | 0 |
| BiU1112 | 0.0006(2) | 0 |
| BiU2212 | -0.00026(19) | 0 |
| BiU3312 | -0.0013(2) | 0 |
| BiU1212 | 0 | 0 |
| BiU1312 | -0.00138(17) | 0 |
| BiU2312 | 0 | 0 |
| BiU1113 | 0 | 0 |
| BiU2213 | 0 | 0 |
| BiU3313 | 0 | 0 |
| BiU1213 | -0.0011(2) | 0 |
| BiU1313 | 0 | 0 |
| BiU2313 | 0.0002(2) | 0 |
| BiU1114 | 0.0054(2) | 0 |
| BiU2214 | 0.00216(19) | 0 |
| BiU3314 | 0.0031(2) | 0 |
| BiU1214 | 0 | 0 |
| BiU1314 | -0.00308(16) | 0 |
| BiU2314 | 0 | 0 |
| BiU1115 | 0 | 0 |
| BiU2215 | 0 | 0 |
| BiU3315 | 0 | 0 |
| BiU1215 | -0.0007(2) | 0 |
| BiU1315 | 0 | 0 |
| BiU2315 | 0.0000(2) | 0 |
| BiU1116 | -0.0018(2) | 0 |
| BiU2216 | 0.0002(2) | 0 |
| BiU3316 | 0.0003(2) | 0 |
| BiU1216 | 0 | 0 |
| BiU1316 | 0.00178(16) | 0 |
| BiU2316 | 0 | 0 |
| BiU1117 | 0 | 0 |
| BiU2217 | 0 | 0 |
| BiU3317 | 0 | 0 |
| BiU1217 | -0.0005(2) | 0 |
| BiU1317 | 0 | 0 |
| BiU2317 | 0.0006(2) | 0 |
| BiU1118 | 0.00271(17) | 0 |
| BiU2218 | -0.00099(19) | 0 |
| BiU3318 | 0.00094(19) | 0 |
| BiU1218 | 0 | 0 |
| BiU1318 | -0.00102(14) | 0 |
| BiU2318 | 0 | 0 |
| BiU1119 | 0 | 0 |
| BiU2219 | 0 | 0 |
| BiU3319 | 0 | 0 |
| BiU1219 | 0.0011(2) | 0 |
| BiU1319 | 0 | 0 |
| BiU2319 | -0.0002(2) | 0 |
| BiU1120 | -0.0015(2) | 0 |
| BiU2220 | -0.0018(2) | 0 |
| BiU3320 | 0.0030(2) | 0 |
| BiU1220 | 0 | 0 |
| BiU1320 | -0.00120(16) | 0 |
| BiU2320 | 0 | 0 |
| FeU111 | 0 | 0 |
| FeU221 | 0 | 0 |
| FeU331 | 0 | 0 |
| FeU121 | -0.0012(2) | 0 |
| FeU131 | 0 | 0 |
| FeU231 | 0.0001(2) | 0 |
| FeU112 | -0.0037(2) | 0 |
| FeU222 | 0.0005(2) | 0 |
| FeU332 | -0.0010(2) | 0 |
| FeU122 | 0 | 0 |
| FeU132 | 0.00383(19) | 0 |
| FeU232 | 0 | 0 |
| FeU113 | 0 | 0 |
| FeU223 | 0 | 0 |
| FeU333 | 0 | 0 |
| FeU123 | 0.0000(2) | 0 |
| FeU133 | 0 | 0 |
| FeU233 | 0.0009(2) | 0 |
| FeU114 | -0.0016(2) | 0 |
| FeU224 | -0.00257(19) | 0 |
| FeU334 | 0.0008(2) | 0 |
| FeU124 | 0 | 0 |
| FeU134 | -0.00183(16) | 0 |
| FeU234 | 0 | 0 |
| FeU115 | 0 | 0 |
| FeU225 | 0 | 0 |
| FeU335 | 0 | 0 |
| FeU125 | 0.0006(2) | 0 |
| FeU135 | 0 | 0 |
| FeU235 | -0.00032(19) | 0 |
| FeU116 | 0.0012(2) | 0 |
| FeU226 | -0.00268(17) | 0 |
| FeU336 | 0.0009(2) | 0 |
| FeU126 | 0 | 0 |
| FeU136 | -0.00507(16) | 0 |
| FeU236 | 0 | 0 |
| FeU117 | 0 | 0 |
| FeU227 | 0 | 0 |
| FeU337 | 0 | 0 |
| FeU127 | 0.0002(2) | 0 |
| FeU137 | 0 | 0 |
| FeU237 | 0.0005(2) | 0 |
| FeU118 | 0.00345(19) | 0 |
| FeU228 | 0.00235(18) | 0 |
| FeU338 | -0.0005(2) | 0 |
| FeU128 | 0 | 0 |
| FeU138 | 0.00013(16) | 0 |
| FeU238 | 0 | 0 |
| FeU119 | 0 | 0 |
| FeU229 | 0 | 0 |
| FeU339 | 0 | 0 |
| FeU129 | -0.0001(2) | 0 |
| FeU139 | 0 | 0 |
| FeU239 | -0.0003(2) | 0 |
| FeU1110 | -0.0006(2) | 0 |
| FeU2210 | 0.00065(20) | 0 |
| FeU3310 | -0.0013(2) | 0 |
| FeU1210 | 0 | 0 |
| FeU1310 | 0.00017(17) | 0 |
| FeU2310 | 0 | 0 |
| FeU1111 | 0 | 0 |
| FeU2211 | 0 | 0 |
| FeU3311 | 0 | 0 |
| FeU1211 | 0.0010(3) | 0 |
| FeU1311 | 0 | 0 |
| FeU2311 | -0.0003(2) | 0 |
| FeU1112 | 0.0006(2) | 0 |
| FeU2212 | -0.00026(19) | 0 |
| FeU3312 | -0.0013(2) | 0 |
| FeU1212 | 0 | 0 |
| FeU1312 | -0.00138(17) | 0 |
| FeU2312 | 0 | 0 |
| FeU1113 | 0 | 0 |
| FeU2213 | 0 | 0 |
| FeU3313 | 0 | 0 |
| FeU1213 | -0.0011(2) | 0 |
| FeU1313 | 0 | 0 |
| FeU2313 | 0.0002(2) | 0 |
| FeU1114 | 0.0054(2) | 0 |
| FeU2214 | 0.00216(19) | 0 |
| FeU3314 | 0.0031(2) | 0 |
| FeU1214 | 0 | 0 |
| FeU1314 | -0.00308(16) | 0 |
| FeU2314 | 0 | 0 |
| FeU1115 | 0 | 0 |
| FeU2215 | 0 | 0 |
| FeU3315 | 0 | 0 |
| FeU1215 | -0.0007(2) | 0 |
| FeU1315 | 0 | 0 |
| FeU2315 | 0.0000(2) | 0 |
| FeU1116 | -0.0018(2) | 0 |
| FeU2216 | 0.0002(2) | 0 |
| FeU3316 | 0.0003(2) | 0 |
| FeU1216 | 0 | 0 |
| FeU1316 | 0.00178(16) | 0 |
| FeU2316 | 0 | 0 |
| FeU1117 | 0 | 0 |
| FeU2217 | 0 | 0 |
| FeU3317 | 0 | 0 |
| FeU1217 | -0.0005(2) | 0 |
| FeU1317 | 0 | 0 |
| FeU2317 | 0.0006(2) | 0 |
| FeU1118 | 0.00271(17) | 0 |
| FeU2218 | -0.00099(19) | 0 |
| FeU3318 | 0.00094(19) | 0 |
| FeU1218 | 0 | 0 |
| FeU1318 | -0.00102(14) | 0 |
| FeU2318 | 0 | 0 |
| FeU1119 | 0 | 0 |
| FeU2219 | 0 | 0 |
| FeU3319 | 0 | 0 |
| FeU1219 | 0.0011(2) | 0 |
| FeU1319 | 0 | 0 |
| FeU2319 | -0.0002(2) | 0 |
| FeU1120 | -0.0015(2) | 0 |
| FeU2220 | -0.0018(2) | 0 |
| FeU3320 | 0.0030(2) | 0 |
| FeU1220 | 0 | 0 |
| FeU1320 | -0.00120(16) | 0 |
| FeU2320 | 0 | 0 |