3D atomic structure determination with ultrashort-pulse MeV electron diffraction
Authors:Hennicke, Vincent; Hachmann, Max; Klar, Paul Benjamin; Reinke, Patrick Y. A.; Pakendorf, Tim; Meyer, Jan; Delsim-Hashemi, Hossein; Barthelmess, Miriam; Thekku Veedu, Sreevidya; Fischer, Pontus; Rodrigues, Ana C.; Qelaj, Arlinda; Tolstikova, Alexandra; Yefanov, Oleksandr; Wernsmann, Juna; Lemery, Francois; Schubert, Robin; de Diego, Inaki; Hayes, Stuart; Gunther, Sebastian; Falke, Sven; Frojd, Erik; Mozzanica, Aldo; Palatinus, Lukas; Rossnagel, Kai; Schmitt, Bernd; Chapman, Henry N.; Leemans, Win; Flottmann, Klaus; Meents, Alke
Journal:IUCrJ 13 282-290 (2026)
DOI:https://doi.org/10.1107/S2052252526002782
B-IncStrDB ID: IAyACLYazaI Entry date: 2026-04-03 Last revision: 2026-05-03
I
Chemical data
Full Name: ? [ Help ]
Common Name: 1T-tantalum(IV) sulfide [ Help ]
Structural Formula Sum: Ta S2 [ Help ]
Formula weight: 245.1 Da [ Help ]
Absolute configuration: . [ Help ]
Crystallographic data and experimental details
Crystal system: trigonal [ Help ]
Space group name (H-M): X-3 [ Help ]
Symmetry operations of the superspace group: (Show/hide table) [ Help ]
| Operation code | Operation in algebraic form |
|---|---|
| 1 | x1,x2,x3,x4,x5 |
| 2 | -x2,x1-x2,x3,-x5,x4-x5 |
| 3 | -x1+x2,-x1,x3,-x4+x5,-x4 |
| 4 | -x1,-x2,-x3,-x4,-x5 |
| 5 | x2,-x1+x2,-x3,x5,-x4+x5 |
| 6 | x1-x2,x1,-x3,x4-x5,x4 |
| 7 | x1,x2,x3+1/3,x4+2/3,x5+1/3 |
| 8 | -x2,x1-x2,x3+1/3,-x5+2/3,x4-x5+1/3 |
| 9 | -x1+x2,-x1,x3+1/3,-x4+x5+2/3,-x4+1/3 |
| 10 | -x1,-x2,-x3+1/3,-x4+2/3,-x5+1/3 |
| 11 | x2,-x1+x2,-x3+1/3,x5+2/3,-x4+x5+1/3 |
| 12 | x1-x2,x1,-x3+1/3,x4-x5+2/3,x4+1/3 |
| 13 | x1,x2,x3+2/3,x4+1/3,x5+2/3 |
| 14 | -x2,x1-x2,x3+2/3,-x5+1/3,x4-x5+2/3 |
| 15 | -x1+x2,-x1,x3+2/3,-x4+x5+1/3,-x4+2/3 |
| 16 | -x1,-x2,-x3+2/3,-x4+1/3,-x5+2/3 |
| 17 | x2,-x1+x2,-x3+2/3,x5+1/3,-x4+x5+2/3 |
| 18 | x1-x2,x1,-x3+2/3,x4-x5+1/3,x4+2/3 |
a: 3.3553(4) Å [ Help ]
b: 3.3553(4) Å [ Help ]
c: 17.647(2) Å [ Help ]
α: 90 ° [ Help ]
β: 90 ° [ Help ]
γ: 120 ° [ Help ]
Volume: 172.06(4) Å3 [ Help ]
Z: 3 [ Help ]
Modulation dimension: 2 [ Help ]
Measured independent wave vectors: (Show/hide table) [ Help ]
| Wave vector id | q_x | q_y | q_z |
|---|---|---|---|
| 1 | 0.245300 | 0.067900 | 0.000000 |
| 2 | -0.067900 | 0.313200 | 0.000000 |
Cell determination reflection Nb.: 24142 [ Help ]
θ(min) for cell determination: 0.024 ° [ Help ]
θ(max) for cell determination: 0.204 ° [ Help ]
Cell measurement temperature: 293 K [ Help ]
Cell remarks: Data reduction was performed with a non-centered unit cell, i.e. c = 5.87815 Angstrom. Modulation wave vectors used are q1 = (0.2450, 0.06809, 0.33429) and q2 = (-0.0681, 0.31312, 0.667321) Input files were adapted to the centered setting in which this CIF file is described before structure determination using self-written Python scripts. [ Help ]
μ: 0 mm-1 [ Help ]
Refinement details
Refinement remarks: Calculated intensities based on dynamical theory of electron diffraction. Number of individual data blocks in refinement: 1 Block Thickness Nobs Nall Robs Rall wRall 1 562(3) 11910 20621 0.1003 0.1518 0.0532 Thickness given in Angstrom. A crystal with a thickness distribution of a lens was used. The refined thickness corresponds to the maximum thickness of the lens. The effective crystal thickness was adapted based on the goniometer angle with a mixing factor of 0.8164. Refinement statistics relevant for the non-linear least-squares minimisation of wR(all): Number of reflections in refinement (obs/all): 11910 / 20621 Number of reflections present more than once: 1550 Number of reflections unique in point group 1: 19071 Robs: 0.1003 Rall: 0.1518 wRall: 0.0532 Post-refinement analysis of symmetrically-equivalent reflections: Number of unique reflections (obs/all): 3435 / 4951 MRobs: 0.0886 MRall: 0.1237 MwRall: 0.0553 Refinement R factors and merged R factors (MR) for individual reflection groups (m,n): - Group (0,0) Number of duplicates: 32 All reflections without duplicates: 533 'P1': 565 / 565 observed/all reflections. Merge: 136 / 136 observed/all reflections. MRobs 0.0280 Robs 0.0455 MRall 0.0280 Rall 0.0455 MwRall 0.0417 wRall 0.0388 - Group (1,0) Number of duplicates: 250 All reflections without duplicates: 3084 'P1': 3245 / 3334 observed/all reflections. Merge: 796 / 804 observed/all reflections. MRobs 0.0609 Robs 0.0848 MRall 0.0610 Rall 0.0856 MwRall 0.0532 wRall 0.0803 - Group (1,1) Number of duplicates: 257 All reflections without duplicates: 3102 'P1': 2743 / 3359 observed/all reflections. Merge: 726 / 800 observed/all reflections. MRobs 0.0724 Robs 0.0961 MRall 0.0774 Rall 0.1069 MwRall 0.0587 wRall 0.0878 - Group (2,0) Number of duplicates: 245 All reflections without duplicates: 3069 'P1': 2151 / 3314 observed/all reflections. Merge: 639 / 798 observed/all reflections. MRobs 0.0946 Robs 0.1180 MRall 0.1092 Rall 0.1484 MwRall 0.0847 wRall 0.1192 - Group (1,2) Number of duplicates: 268 All reflections without duplicates: 3105 'P1': 1579 / 3373 observed/all reflections. Merge: 519 / 806 observed/all reflections. MRobs 0.1390 Robs 0.1539 MRall 0.1924 Rall 0.2302 MwRall 0.1276 wRall 0.1673 - Group (2,1) Number of duplicates: 243 All reflections without duplicates: 3025 'P1': 907 / 3268 observed/all reflections. Merge: 349 / 792 observed/all reflections. MRobs 0.3212 Robs 0.3071 MRall 0.3874 Rall 0.4286 MwRall 0.3374 wRall 0.3506 - Group (3,0) Number of duplicates: 255 All reflections without duplicates: 3153 'P1': 720 / 3408 observed/all reflections. Merge: 270 / 815 observed/all reflections. MRobs 0.4692 Robs 0.3653 MRall 0.8177 Rall 0.8146 MwRall 0.3834 wRall 0.3876 Note: _refine_diff_potential_max/_min given in e/Angstrom Number of refinement parameters: Sacle factors: 63 Thickness-related parameters: 3 Structure parameters: 69 Total: 135 [ Help ]
Total nb. of reflections: 20621 [ Help ]
Nb. of observed reflections: 11910 [ Help ]
Intense reflections threshold: I>3σ(I) [ Help ]
Refinement based on: F [ Help ]
R(obs): 0.1003 [ Help ]
wR(obs): 0.0527 [ Help ]
R(all): 0.1518 [ Help ]
wR(all): 0.0532 [ Help ]
S(all): 7.3730 [ Help ]
S(obs): 9.6220 [ Help ]
Nb. of reflections: 20621 [ Help ]
Nb. of parameters: 135 [ Help ]
Number of restraints: 0 [ Help ]
Number of constraints: 0 [ Help ]
Weighting scheme: sigma [ Help ]
Weighting scheme remarks: w=1/σ2(F) [ Help ]
Δ/σ(max): 0.0152 [ Help ]
Δ/σ(mean): 0.0016 [ 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ta1 | Ta | 0 | 0 | 0 | Uani | 0.01343(9) | 3 | 1 | d | . | . | . |
| S1 | S | 0.666667 | 0.333333 | 0.08644(4) | Uani | 0.01405(16) | 6 | 1 | d | . | . | . |
ADP components: (Show/hide table) [ Help ]
| Atom site label | Atom site symbol | U11 | U22 | U33 | U12 | U13 | U23 |
|---|---|---|---|---|---|---|---|
| Ta1 | Ta | 0.01065(6) | 0.01065(6) | 0.0190(2) | 0.00532(3) | 0 | 0 |
| S1 | S | 0.01288(11) | 0.01288(11) | 0.0164(4) | 0.00644(5) | 0 | 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 | q_2 |
|---|---|---|
| 1 | 1 | 0 |
| 2 | 0 | 1 |
| 3 | 1 | -1 |
| 4 | 1 | 1 |
| 5 | -1 | 2 |
| 6 | -2 | 1 |
| 7 | 2 | 0 |
| 8 | 0 | 2 |
| 9 | -2 | 2 |
| 10 | 1 | 2 |
| 11 | -2 | 3 |
| 12 | -3 | 1 |
| 13 | 2 | 1 |
| 14 | -1 | 3 |
| 15 | -3 | 2 |
| 16 | 3 | 0 |
| 17 | 0 | 3 |
| 18 | -3 | 3 |
Definition of the displacive (translational) Fourier series: (Show/hide table) [ Help ]
| Modulation code | Atom site label | Displacement axis | Wave vector code |
|---|---|---|---|
| Ta1_x_1 | Ta1 | x | 1 |
| Ta1_y_1 | Ta1 | y | 1 |
| Ta1_z_1 | Ta1 | z | 1 |
| Ta1_x_2 | Ta1 | x | 2 |
| Ta1_y_2 | Ta1 | y | 2 |
| Ta1_z_2 | Ta1 | z | 2 |
| Ta1_x_3 | Ta1 | x | 3 |
| Ta1_y_3 | Ta1 | y | 3 |
| Ta1_z_3 | Ta1 | z | 3 |
| Ta1_x_4 | Ta1 | x | 4 |
| Ta1_y_4 | Ta1 | y | 4 |
| Ta1_z_4 | Ta1 | z | 4 |
| Ta1_x_5 | Ta1 | x | 5 |
| Ta1_y_5 | Ta1 | y | 5 |
| Ta1_z_5 | Ta1 | z | 5 |
| Ta1_x_6 | Ta1 | x | 6 |
| Ta1_y_6 | Ta1 | y | 6 |
| Ta1_z_6 | Ta1 | z | 6 |
| Ta1_x_7 | Ta1 | x | 7 |
| Ta1_y_7 | Ta1 | y | 7 |
| Ta1_z_7 | Ta1 | z | 7 |
| Ta1_x_8 | Ta1 | x | 8 |
| Ta1_y_8 | Ta1 | y | 8 |
| Ta1_z_8 | Ta1 | z | 8 |
| Ta1_x_9 | Ta1 | x | 9 |
| Ta1_y_9 | Ta1 | y | 9 |
| Ta1_z_9 | Ta1 | z | 9 |
| Ta1_x_10 | Ta1 | x | 10 |
| Ta1_y_10 | Ta1 | y | 10 |
| Ta1_z_10 | Ta1 | z | 10 |
| Ta1_x_11 | Ta1 | x | 11 |
| Ta1_y_11 | Ta1 | y | 11 |
| Ta1_z_11 | Ta1 | z | 11 |
| Ta1_x_12 | Ta1 | x | 12 |
| Ta1_y_12 | Ta1 | y | 12 |
| Ta1_z_12 | Ta1 | z | 12 |
| Ta1_x_13 | Ta1 | x | 13 |
| Ta1_y_13 | Ta1 | y | 13 |
| Ta1_z_13 | Ta1 | z | 13 |
| Ta1_x_14 | Ta1 | x | 14 |
| Ta1_y_14 | Ta1 | y | 14 |
| Ta1_z_14 | Ta1 | z | 14 |
| Ta1_x_15 | Ta1 | x | 15 |
| Ta1_y_15 | Ta1 | y | 15 |
| Ta1_z_15 | Ta1 | z | 15 |
| Ta1_x_16 | Ta1 | x | 16 |
| Ta1_y_16 | Ta1 | y | 16 |
| Ta1_z_16 | Ta1 | z | 16 |
| Ta1_x_17 | Ta1 | x | 17 |
| Ta1_y_17 | Ta1 | y | 17 |
| Ta1_z_17 | Ta1 | z | 17 |
| Ta1_x_18 | Ta1 | x | 18 |
| Ta1_y_18 | Ta1 | y | 18 |
| Ta1_z_18 | Ta1 | z | 18 |
| S1_x_1 | S1 | x | 1 |
| S1_y_1 | S1 | y | 1 |
| S1_z_1 | S1 | z | 1 |
| S1_x_2 | S1 | x | 2 |
| S1_y_2 | S1 | y | 2 |
| S1_z_2 | S1 | z | 2 |
| S1_x_3 | S1 | x | 3 |
| S1_y_3 | S1 | y | 3 |
| S1_z_3 | S1 | z | 3 |
| S1_x_4 | S1 | x | 4 |
| S1_y_4 | S1 | y | 4 |
| S1_z_4 | S1 | z | 4 |
| S1_x_5 | S1 | x | 5 |
| S1_y_5 | S1 | y | 5 |
| S1_z_5 | S1 | z | 5 |
| S1_x_6 | S1 | x | 6 |
| S1_y_6 | S1 | y | 6 |
| S1_z_6 | S1 | z | 6 |
| S1_x_7 | S1 | x | 7 |
| S1_y_7 | S1 | y | 7 |
| S1_z_7 | S1 | z | 7 |
| S1_x_8 | S1 | x | 8 |
| S1_y_8 | S1 | y | 8 |
| S1_z_8 | S1 | z | 8 |
| S1_x_9 | S1 | x | 9 |
| S1_y_9 | S1 | y | 9 |
| S1_z_9 | S1 | z | 9 |
| S1_x_10 | S1 | x | 10 |
| S1_y_10 | S1 | y | 10 |
| S1_z_10 | S1 | z | 10 |
| S1_x_11 | S1 | x | 11 |
| S1_y_11 | S1 | y | 11 |
| S1_z_11 | S1 | z | 11 |
| S1_x_12 | S1 | x | 12 |
| S1_y_12 | S1 | y | 12 |
| S1_z_12 | S1 | z | 12 |
| S1_x_13 | S1 | x | 13 |
| S1_y_13 | S1 | y | 13 |
| S1_z_13 | S1 | z | 13 |
| S1_x_14 | S1 | x | 14 |
| S1_y_14 | S1 | y | 14 |
| S1_z_14 | S1 | z | 14 |
| S1_x_15 | S1 | x | 15 |
| S1_y_15 | S1 | y | 15 |
| S1_z_15 | S1 | z | 15 |
| S1_x_16 | S1 | x | 16 |
| S1_y_16 | S1 | y | 16 |
| S1_z_16 | S1 | z | 16 |
| S1_x_17 | S1 | x | 17 |
| S1_y_17 | S1 | y | 17 |
| S1_z_17 | S1 | z | 17 |
| S1_x_18 | S1 | x | 18 |
| S1_y_18 | S1 | y | 18 |
| S1_z_18 | S1 | z | 18 |
Displacive (translational) Fourier coefficients: (Show/hide table) [ Help ]
| Modulation code | Cosine coefficient | Sine coefficient |
|---|---|---|
| Ta1_x_1 | 0 | -0.04015(5) |
| Ta1_y_1 | 0 | -0.01905(5) |
| Ta1_z_1 | 0 | 0.000173(16) |
| Ta1_x_2 | 0 | -0.02110(7) |
| Ta1_y_2 | 0 | -0.04015(5) |
| Ta1_z_2 | 0 | -0.000173(16) |
| Ta1_x_3 | 0 | -0.01905(5) |
| Ta1_y_3 | 0 | 0.02110(7) |
| Ta1_z_3 | 0 | -0.000173(16) |
| Ta1_x_4 | 0 | 0.01737(7) |
| Ta1_y_4 | 0 | -0.00181(8) |
| Ta1_z_4 | 0 | 0.00004(2) |
| Ta1_x_5 | 0 | 0.01918(10) |
| Ta1_y_5 | 0 | 0.01737(7) |
| Ta1_z_5 | 0 | -0.00004(2) |
| Ta1_x_6 | 0 | 0.00181(8) |
| Ta1_y_6 | 0 | 0.01918(10) |
| Ta1_z_6 | 0 | 0.00004(2) |
| Ta1_x_7 | 0 | 0.00299(9) |
| Ta1_y_7 | 0 | 0.01397(7) |
| Ta1_z_7 | 0 | 0.00018(3) |
| Ta1_x_8 | 0 | -0.01098(11) |
| Ta1_y_8 | 0 | 0.00299(9) |
| Ta1_z_8 | 0 | -0.00018(3) |
| Ta1_x_9 | 0 | -0.01397(7) |
| Ta1_y_9 | 0 | -0.01098(11) |
| Ta1_z_9 | 0 | 0.00018(3) |
| Ta1_x_10 | 0 | 0.00093(13) |
| Ta1_y_10 | 0 | 0.00946(11) |
| Ta1_z_10 | 0 | -0.00022(4) |
| Ta1_x_11 | 0 | -0.00854(17) |
| Ta1_y_11 | 0 | 0.00093(13) |
| Ta1_z_11 | 0 | 0.00022(4) |
| Ta1_x_12 | 0 | -0.00946(11) |
| Ta1_y_12 | 0 | -0.00854(17) |
| Ta1_z_12 | 0 | -0.00022(4) |
| Ta1_x_13 | 0 | -0.00718(11) |
| Ta1_y_13 | 0 | -0.00723(12) |
| Ta1_z_13 | 0 | -0.00005(5) |
| Ta1_x_14 | 0 | 0.00005(17) |
| Ta1_y_14 | 0 | -0.00718(11) |
| Ta1_z_14 | 0 | 0.00005(5) |
| Ta1_x_15 | 0 | 0.00723(12) |
| Ta1_y_15 | 0 | 0.00005(17) |
| Ta1_z_15 | 0 | -0.00005(5) |
| Ta1_x_16 | 0 | -0.00014(19) |
| Ta1_y_16 | 0 | -0.00691(17) |
| Ta1_z_16 | 0 | 0.00006(6) |
| Ta1_x_17 | 0 | 0.0068(3) |
| Ta1_y_17 | 0 | -0.00014(19) |
| Ta1_z_17 | 0 | -0.00006(6) |
| Ta1_x_18 | 0 | 0.00691(17) |
| Ta1_y_18 | 0 | 0.0068(3) |
| Ta1_z_18 | 0 | 0.00006(6) |
| S1_x_1 | 0.00275(8) | -0.00792(8) |
| S1_y_1 | -0.00005(11) | -0.00278(11) |
| S1_z_1 | 0.00311(3) | 0.00117(3) |
| S1_x_2 | -0.00281(13) | -0.00514(14) |
| S1_y_2 | -0.00275(8) | -0.00792(8) |
| S1_z_2 | 0.00311(3) | -0.00117(3) |
| S1_x_3 | 0.00005(11) | -0.00278(11) |
| S1_y_3 | 0.00281(13) | 0.00514(14) |
| S1_z_3 | 0.00311(3) | -0.00117(3) |
| S1_x_4 | -0.00354(14) | 0.00150(14) |
| S1_y_4 | -0.00117(18) | -0.00161(18) |
| S1_z_4 | -0.00039(5) | -0.00103(5) |
| S1_x_5 | 0.0024(2) | 0.0031(2) |
| S1_y_5 | 0.00354(14) | 0.00150(14) |
| S1_z_5 | -0.00039(5) | 0.00103(5) |
| S1_x_6 | 0.00117(18) | 0.00161(18) |
| S1_y_6 | -0.0024(2) | 0.0031(2) |
| S1_z_6 | -0.00039(5) | -0.00103(5) |
| S1_x_7 | 0.0004(2) | -0.0015(2) |
| S1_y_7 | 0.00327(16) | -0.00018(17) |
| S1_z_7 | -0.00039(6) | 0.00028(6) |
| S1_x_8 | 0.0029(3) | -0.0013(3) |
| S1_y_8 | -0.0004(2) | -0.0015(2) |
| S1_z_8 | -0.00039(6) | -0.00028(6) |
| S1_x_9 | -0.00327(16) | 0.00018(17) |
| S1_y_9 | -0.0029(3) | -0.0013(3) |
| S1_z_9 | -0.00039(6) | 0.00028(6) |
| S1_x_10 | 0.0002(3) | -0.0014(3) |
| S1_y_10 | -0.0011(2) | -0.0018(2) |
| S1_z_10 | -0.00025(8) | 0.00052(8) |
| S1_x_11 | -0.0013(4) | 0.0004(3) |
| S1_y_11 | -0.0002(3) | -0.0014(3) |
| S1_z_11 | -0.00025(8) | -0.00052(8) |
| S1_x_12 | 0.0011(2) | 0.0018(2) |
| S1_y_12 | 0.0013(4) | 0.0004(3) |
| S1_z_12 | -0.00025(8) | 0.00052(8) |
| S1_x_13 | 0.0003(3) | 0.0012(3) |
| S1_y_13 | -0.0003(3) | 0.0011(3) |
| S1_z_13 | 0.00020(11) | -0.00001(12) |
| S1_x_14 | -0.0006(5) | 0.0001(5) |
| S1_y_14 | -0.0003(3) | 0.0012(3) |
| S1_z_14 | 0.00020(11) | 0.00001(12) |
| S1_x_15 | 0.0003(3) | -0.0011(3) |
| S1_y_15 | 0.0006(5) | 0.0001(5) |
| S1_z_15 | 0.00020(11) | -0.00001(12) |
| S1_x_16 | 0.0010(5) | -0.0001(5) |
| S1_y_16 | -0.0004(4) | 0.0006(5) |
| S1_z_16 | 0.00024(15) | -0.00002(15) |
| S1_x_17 | -0.0013(7) | -0.0007(7) |
| S1_y_17 | -0.0010(5) | -0.0001(5) |
| S1_z_17 | 0.00024(15) | 0.00002(15) |
| S1_x_18 | 0.0004(4) | -0.0006(5) |
| S1_y_18 | 0.0013(7) | -0.0007(7) |
| S1_z_18 | 0.00024(15) | -0.00002(15) |
Definition of the ADP Fourier series: (Show/hide table) [ Help ]
| Modulation code | Atom site label | Tensor element | Wave vector code |
|---|---|---|---|
| Ta1_U11_1 | Ta1 | U11 | 1 |
| Ta1_U22_1 | Ta1 | U22 | 1 |
| Ta1_U33_1 | Ta1 | U33 | 1 |
| Ta1_U12_1 | Ta1 | U12 | 1 |
| Ta1_U13_1 | Ta1 | U13 | 1 |
| Ta1_U23_1 | Ta1 | U23 | 1 |
| Ta1_U11_2 | Ta1 | U11 | 2 |
| Ta1_U22_2 | Ta1 | U22 | 2 |
| Ta1_U33_2 | Ta1 | U33 | 2 |
| Ta1_U12_2 | Ta1 | U12 | 2 |
| Ta1_U13_2 | Ta1 | U13 | 2 |
| Ta1_U23_2 | Ta1 | U23 | 2 |
| Ta1_U11_3 | Ta1 | U11 | 3 |
| Ta1_U22_3 | Ta1 | U22 | 3 |
| Ta1_U33_3 | Ta1 | U33 | 3 |
| Ta1_U12_3 | Ta1 | U12 | 3 |
| Ta1_U13_3 | Ta1 | U13 | 3 |
| Ta1_U23_3 | Ta1 | U23 | 3 |
| Ta1_U11_4 | Ta1 | U11 | 4 |
| Ta1_U22_4 | Ta1 | U22 | 4 |
| Ta1_U33_4 | Ta1 | U33 | 4 |
| Ta1_U12_4 | Ta1 | U12 | 4 |
| Ta1_U13_4 | Ta1 | U13 | 4 |
| Ta1_U23_4 | Ta1 | U23 | 4 |
| Ta1_U11_5 | Ta1 | U11 | 5 |
| Ta1_U22_5 | Ta1 | U22 | 5 |
| Ta1_U33_5 | Ta1 | U33 | 5 |
| Ta1_U12_5 | Ta1 | U12 | 5 |
| Ta1_U13_5 | Ta1 | U13 | 5 |
| Ta1_U23_5 | Ta1 | U23 | 5 |
| Ta1_U11_6 | Ta1 | U11 | 6 |
| Ta1_U22_6 | Ta1 | U22 | 6 |
| Ta1_U33_6 | Ta1 | U33 | 6 |
| Ta1_U12_6 | Ta1 | U12 | 6 |
| Ta1_U13_6 | Ta1 | U13 | 6 |
| Ta1_U23_6 | Ta1 | U23 | 6 |
| Ta1_U11_7 | Ta1 | U11 | 7 |
| Ta1_U22_7 | Ta1 | U22 | 7 |
| Ta1_U33_7 | Ta1 | U33 | 7 |
| Ta1_U12_7 | Ta1 | U12 | 7 |
| Ta1_U13_7 | Ta1 | U13 | 7 |
| Ta1_U23_7 | Ta1 | U23 | 7 |
| Ta1_U11_8 | Ta1 | U11 | 8 |
| Ta1_U22_8 | Ta1 | U22 | 8 |
| Ta1_U33_8 | Ta1 | U33 | 8 |
| Ta1_U12_8 | Ta1 | U12 | 8 |
| Ta1_U13_8 | Ta1 | U13 | 8 |
| Ta1_U23_8 | Ta1 | U23 | 8 |
| Ta1_U11_9 | Ta1 | U11 | 9 |
| Ta1_U22_9 | Ta1 | U22 | 9 |
| Ta1_U33_9 | Ta1 | U33 | 9 |
| Ta1_U12_9 | Ta1 | U12 | 9 |
| Ta1_U13_9 | Ta1 | U13 | 9 |
| Ta1_U23_9 | Ta1 | U23 | 9 |
| Ta1_U11_10 | Ta1 | U11 | 10 |
| Ta1_U22_10 | Ta1 | U22 | 10 |
| Ta1_U33_10 | Ta1 | U33 | 10 |
| Ta1_U12_10 | Ta1 | U12 | 10 |
| Ta1_U13_10 | Ta1 | U13 | 10 |
| Ta1_U23_10 | Ta1 | U23 | 10 |
| Ta1_U11_11 | Ta1 | U11 | 11 |
| Ta1_U22_11 | Ta1 | U22 | 11 |
| Ta1_U33_11 | Ta1 | U33 | 11 |
| Ta1_U12_11 | Ta1 | U12 | 11 |
| Ta1_U13_11 | Ta1 | U13 | 11 |
| Ta1_U23_11 | Ta1 | U23 | 11 |
| Ta1_U11_12 | Ta1 | U11 | 12 |
| Ta1_U22_12 | Ta1 | U22 | 12 |
| Ta1_U33_12 | Ta1 | U33 | 12 |
| Ta1_U12_12 | Ta1 | U12 | 12 |
| Ta1_U13_12 | Ta1 | U13 | 12 |
| Ta1_U23_12 | Ta1 | U23 | 12 |
| S1_U11_1 | S1 | U11 | 1 |
| S1_U22_1 | S1 | U22 | 1 |
| S1_U33_1 | S1 | U33 | 1 |
| S1_U12_1 | S1 | U12 | 1 |
| S1_U13_1 | S1 | U13 | 1 |
| S1_U23_1 | S1 | U23 | 1 |
| S1_U11_2 | S1 | U11 | 2 |
| S1_U22_2 | S1 | U22 | 2 |
| S1_U33_2 | S1 | U33 | 2 |
| S1_U12_2 | S1 | U12 | 2 |
| S1_U13_2 | S1 | U13 | 2 |
| S1_U23_2 | S1 | U23 | 2 |
| S1_U11_3 | S1 | U11 | 3 |
| S1_U22_3 | S1 | U22 | 3 |
| S1_U33_3 | S1 | U33 | 3 |
| S1_U12_3 | S1 | U12 | 3 |
| S1_U13_3 | S1 | U13 | 3 |
| S1_U23_3 | S1 | U23 | 3 |
| S1_U11_4 | S1 | U11 | 4 |
| S1_U22_4 | S1 | U22 | 4 |
| S1_U33_4 | S1 | U33 | 4 |
| S1_U12_4 | S1 | U12 | 4 |
| S1_U13_4 | S1 | U13 | 4 |
| S1_U23_4 | S1 | U23 | 4 |
| S1_U11_5 | S1 | U11 | 5 |
| S1_U22_5 | S1 | U22 | 5 |
| S1_U33_5 | S1 | U33 | 5 |
| S1_U12_5 | S1 | U12 | 5 |
| S1_U13_5 | S1 | U13 | 5 |
| S1_U23_5 | S1 | U23 | 5 |
| S1_U11_6 | S1 | U11 | 6 |
| S1_U22_6 | S1 | U22 | 6 |
| S1_U33_6 | S1 | U33 | 6 |
| S1_U12_6 | S1 | U12 | 6 |
| S1_U13_6 | S1 | U13 | 6 |
| S1_U23_6 | S1 | U23 | 6 |
| S1_U11_7 | S1 | U11 | 7 |
| S1_U22_7 | S1 | U22 | 7 |
| S1_U33_7 | S1 | U33 | 7 |
| S1_U12_7 | S1 | U12 | 7 |
| S1_U13_7 | S1 | U13 | 7 |
| S1_U23_7 | S1 | U23 | 7 |
| S1_U11_8 | S1 | U11 | 8 |
| S1_U22_8 | S1 | U22 | 8 |
| S1_U33_8 | S1 | U33 | 8 |
| S1_U12_8 | S1 | U12 | 8 |
| S1_U13_8 | S1 | U13 | 8 |
| S1_U23_8 | S1 | U23 | 8 |
| S1_U11_9 | S1 | U11 | 9 |
| S1_U22_9 | S1 | U22 | 9 |
| S1_U33_9 | S1 | U33 | 9 |
| S1_U12_9 | S1 | U12 | 9 |
| S1_U13_9 | S1 | U13 | 9 |
| S1_U23_9 | S1 | U23 | 9 |
ADP Fourier coefficients: (Show/hide table) [ Help ]
| Modulation code | Cosine coefficient | Sine coefficient |
|---|---|---|
| Ta1_U11_1 | 0 | 0 |
| Ta1_U22_1 | 0 | 0 |
| Ta1_U33_1 | -0.00248(17) | 0 |
| Ta1_U12_1 | 0 | 0 |
| Ta1_U13_1 | 0 | 0 |
| Ta1_U23_1 | 0 | 0 |
| Ta1_U11_2 | 0 | 0 |
| Ta1_U22_2 | 0 | 0 |
| Ta1_U33_2 | -0.00248(17) | 0 |
| Ta1_U12_2 | 0 | 0 |
| Ta1_U13_2 | 0 | 0 |
| Ta1_U23_2 | 0 | 0 |
| Ta1_U11_3 | 0 | 0 |
| Ta1_U22_3 | 0 | 0 |
| Ta1_U33_3 | -0.00248(17) | 0 |
| Ta1_U12_3 | 0 | 0 |
| Ta1_U13_3 | 0 | 0 |
| Ta1_U23_3 | 0 | 0 |
| Ta1_U11_4 | 0 | 0 |
| Ta1_U22_4 | 0 | 0 |
| Ta1_U33_4 | 0.0009(3) | 0 |
| Ta1_U12_4 | 0 | 0 |
| Ta1_U13_4 | 0 | 0 |
| Ta1_U23_4 | 0 | 0 |
| Ta1_U11_5 | 0 | 0 |
| Ta1_U22_5 | 0 | 0 |
| Ta1_U33_5 | 0.0009(3) | 0 |
| Ta1_U12_5 | 0 | 0 |
| Ta1_U13_5 | 0 | 0 |
| Ta1_U23_5 | 0 | 0 |
| Ta1_U11_6 | 0 | 0 |
| Ta1_U22_6 | 0 | 0 |
| Ta1_U33_6 | 0.0009(3) | 0 |
| Ta1_U12_6 | 0 | 0 |
| Ta1_U13_6 | 0 | 0 |
| Ta1_U23_6 | 0 | 0 |
| Ta1_U11_7 | 0 | 0 |
| Ta1_U22_7 | 0 | 0 |
| Ta1_U33_7 | 0.0015(4) | 0 |
| Ta1_U12_7 | 0 | 0 |
| Ta1_U13_7 | 0 | 0 |
| Ta1_U23_7 | 0 | 0 |
| Ta1_U11_8 | 0 | 0 |
| Ta1_U22_8 | 0 | 0 |
| Ta1_U33_8 | 0.0015(4) | 0 |
| Ta1_U12_8 | 0 | 0 |
| Ta1_U13_8 | 0 | 0 |
| Ta1_U23_8 | 0 | 0 |
| Ta1_U11_9 | 0 | 0 |
| Ta1_U22_9 | 0 | 0 |
| Ta1_U33_9 | 0.0015(4) | 0 |
| Ta1_U12_9 | 0 | 0 |
| Ta1_U13_9 | 0 | 0 |
| Ta1_U23_9 | 0 | 0 |
| Ta1_U11_10 | 0 | 0 |
| Ta1_U22_10 | 0 | 0 |
| Ta1_U33_10 | 0.0026(5) | 0 |
| Ta1_U12_10 | 0 | 0 |
| Ta1_U13_10 | 0 | 0 |
| Ta1_U23_10 | 0 | 0 |
| Ta1_U11_11 | 0 | 0 |
| Ta1_U22_11 | 0 | 0 |
| Ta1_U33_11 | 0.0026(5) | 0 |
| Ta1_U12_11 | 0 | 0 |
| Ta1_U13_11 | 0 | 0 |
| Ta1_U23_11 | 0 | 0 |
| Ta1_U11_12 | 0 | 0 |
| Ta1_U22_12 | 0 | 0 |
| Ta1_U33_12 | 0.0026(5) | 0 |
| Ta1_U12_12 | 0 | 0 |
| Ta1_U13_12 | 0 | 0 |
| Ta1_U23_12 | 0 | 0 |
| S1_U11_1 | 0 | 0 |
| S1_U22_1 | 0 | 0 |
| S1_U33_1 | 0.0019(4) | -0.0011(4) |
| S1_U12_1 | 0 | 0 |
| S1_U13_1 | 0 | 0 |
| S1_U23_1 | 0 | 0 |
| S1_U11_2 | 0 | 0 |
| S1_U22_2 | 0 | 0 |
| S1_U33_2 | 0.0019(4) | 0.0011(4) |
| S1_U12_2 | 0 | 0 |
| S1_U13_2 | 0 | 0 |
| S1_U23_2 | 0 | 0 |
| S1_U11_3 | 0 | 0 |
| S1_U22_3 | 0 | 0 |
| S1_U33_3 | 0.0019(4) | 0.0011(4) |
| S1_U12_3 | 0 | 0 |
| S1_U13_3 | 0 | 0 |
| S1_U23_3 | 0 | 0 |
| S1_U11_4 | 0 | 0 |
| S1_U22_4 | 0 | 0 |
| S1_U33_4 | -0.0014(5) | 0.0007(6) |
| S1_U12_4 | 0 | 0 |
| S1_U13_4 | 0 | 0 |
| S1_U23_4 | 0 | 0 |
| S1_U11_5 | 0 | 0 |
| S1_U22_5 | 0 | 0 |
| S1_U33_5 | -0.0014(5) | -0.0007(6) |
| S1_U12_5 | 0 | 0 |
| S1_U13_5 | 0 | 0 |
| S1_U23_5 | 0 | 0 |
| S1_U11_6 | 0 | 0 |
| S1_U22_6 | 0 | 0 |
| S1_U33_6 | -0.0014(5) | 0.0007(6) |
| S1_U12_6 | 0 | 0 |
| S1_U13_6 | 0 | 0 |
| S1_U23_6 | 0 | 0 |
| S1_U11_7 | 0 | 0 |
| S1_U22_7 | 0 | 0 |
| S1_U33_7 | -0.0007(8) | -0.0009(8) |
| S1_U12_7 | 0 | 0 |
| S1_U13_7 | 0 | 0 |
| S1_U23_7 | 0 | 0 |
| S1_U11_8 | 0 | 0 |
| S1_U22_8 | 0 | 0 |
| S1_U33_8 | -0.0007(8) | 0.0009(8) |
| S1_U12_8 | 0 | 0 |
| S1_U13_8 | 0 | 0 |
| S1_U23_8 | 0 | 0 |
| S1_U11_9 | 0 | 0 |
| S1_U22_9 | 0 | 0 |
| S1_U33_9 | -0.0007(8) | -0.0009(8) |
| S1_U12_9 | 0 | 0 |
| S1_U13_9 | 0 | 0 |
| S1_U23_9 | 0 | 0 |