Open with JSmol

A non-mathematical introduction to the superspace description of modulated structures

Authors:

Wagner, Trixie; Schonleber, Andreas

Journal:

Acta Crystallographica, Section B 65 249-268 (2009)

DOI:

https://doi.org/10.1107/S0108768109015614

B-IncStrDB ID: 6pLptGlCGCF Entry date: 2024-01-25 Last revision: 2024-03-12

Download CIF
Open in JSmol

I

Chemical data

Full Name: (6R,7aS)-6-(tert-Butyl-dimethyl-silanyloxy)-1-hydroxy-2-phenyl-5,6,7,7a- tetrahydro-pyrrolizin-3-one [ Help ]

Structural Formula Sum: C19 H27 N1 O3 Si1 [ Help ]

Formula weight: 345.5 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: P21(α0γ)0 [ Help ]

Symmetry operations of the superspace group: [ Help ]

Operation code Operation in algebraic form
1 x1,x2,x3,x4
2 -x1,x2+1/2,-x3,-x4

a: 6.425(2) Å [ Help ]

b: 6.522(2) Å [ Help ]

c: 22.716(6) Å [ Help ]

α: 90 ° [ Help ]

β: 90.739(11) ° [ Help ]

γ: 90 ° [ Help ]

Volume: 951.8(5) Å3 [ Help ]

Z: 2 [ Help ]

Cell determination reflection Nb.: 9555 [ Help ]

θ(min) for cell determination: 2.88 ° [ Help ]

θ(max) for cell determination: 66.59 ° [ Help ]

Cell measurement temperature: 100 K [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.14216 0.00000 0.38390

μ: 1.215 mm-1 [ Help ]

Absorption correction type: multi-scan [ Help ]

Absorption correction remarks: SADABS (Sheldrick, 2007) [ Help ]

Minimum transmission factor: 0.7120 [ Help ]

Maximum transmission factor: 0.9761 [ Help ]

Refinement details

Total nb. of reflections: 28265 [ Help ]

Nb. of observed reflections: 24813 [ Help ]

Intense reflections threshold: I>3σ(I) [ Help ]

Refinement based on: F [ Help ]

R(all): 0.0424 [ Help ]

R(obs): 0.0363 [ Help ]

wR(obs): 0.0412 [ Help ]

wR(all): 0.0418 [ Help ]

S(all): 2.38 [ Help ]

Nb. of reflections: 28265 [ Help ]

Nb. of parameters: 1396 [ Help ]

Number of restraints: 2 [ Help ]

Number of constraints: 729 [ Help ]

Refinement of hydrogen atoms: mixed [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ2(F)+0.0001F2) [ Help ]

Δ/σ(max): 0.0082 [ Help ]

Δ/σ(mean): 0.0003 [ Help ]

Δρ(max): 0.27 e_Å-3 [ Help ]

Δρ(min): -0.39 e_Å-3 [ Help ]

Extinction method: none [ Help ]

Structural Information

Average Structure: [ Help ]

Atom symbol Atom site label x y z Uiso/equiv ADP type Coords from (d)iffraction or (c)alculated Coords restraints or constraints Occupancy Disordered cluster Disordered group
Si Si01 -0.37092(2) 0.327443 0.659745(8) 0.02007(5) Uani d . 1 . .
C C02 -0.49419(11) 0.55099(13) 0.69617(4) 0.0305(2) Uani d . 1 . .
C C03 -0.56723(12) 0.12354(13) 0.64508(4) 0.0303(2) Uani d . 1 . .
C C04 -0.23589(11) 0.40661(13) 0.59038(3) 0.0272(2) Uani d . 1 . .
C C05 -0.14179(13) 0.21792(16) 0.56111(4) 0.0383(3) Uani d . 1 . .
C C06 -0.06346(13) 0.56026(15) 0.60545(3) 0.0372(3) Uani d . 1 . .
C C07 -0.39167(14) 0.50777(16) 0.54772(4) 0.0402(3) Uani d . 1 . .
O O08 -0.18123(7) 0.23691(9) 0.70179(2) 0.02529(15) Uani d . 1 . .
C C09 -0.20629(10) 0.13164(12) 0.75615(3) 0.0231(2) Uani d . 1 . .
C C10 -0.08436(11) -0.06992(12) 0.75368(3) 0.0239(2) Uani d . 1 . .
N N11 0.12210(8) -0.01391(9) 0.77662(2) 0.01921(16) Uani d . 1 . .
C C12 0.22778(10) -0.13298(11) 0.81639(3) 0.0182(2) Uani d . 1 . .
C C13 0.34856(10) 0.00057(11) 0.85533(3) 0.01811(19) Uani d . 1 . .
C C14 0.28477(10) 0.19596(11) 0.84355(3) 0.01862(19) Uani d . 1 . .
C C15 0.13010(10) 0.20130(11) 0.79404(3) 0.01854(18) Uani d . 1 . .
C C16 -0.09831(10) 0.25196(12) 0.80553(3) 0.0226(2) Uani d . 1 . .
O O17 0.35849(8) 0.36355(9) 0.86877(2) 0.02477(15) Uani d . 1 . .
O O18 0.21029(7) -0.32253(9) 0.81674(2) 0.02422(15) Uani d . 1 . .
C C19 0.51159(10) -0.06276(11) 0.89747(3) 0.0184(2) Uani d . 1 . .
C C20 0.55142(11) 0.05378(12) 0.94779(3) 0.0219(2) Uani d . 1 . .
C C21 0.71368(11) 0.00383(13) 0.98554(3) 0.0257(2) Uani d . 1 . .
C C22 0.84021(11) -0.16203(14) 0.97393(3) 0.0288(2) Uani d . 1 . .
C C23 0.80080(11) -0.28088(13) 0.92462(3) 0.0281(2) Uani d . 1 . .
C C24 0.63787(10) -0.23176(11) 0.88679(3) 0.0221(2) Uani d . 1 . .
H H02a -0.606462 0.604054 0.67109 0.0457 Uiso d . 1 . .
H H02b -0.550668 0.507981 0.733914 0.0457 Uiso d . 1 . .
H H02c -0.390319 0.658571 0.702668 0.0457 Uiso d . 1 . .
H H03a -0.678814 0.178831 0.620147 0.0455 Uiso d . 1 . .
H H03b -0.501204 0.008181 0.625101 0.0455 Uiso d . 1 . .
H H03c -0.624909 0.076357 0.68228 0.0455 Uiso d . 1 . .
H H05a -0.07179 0.259368 0.525111 0.0575 Uiso d . 1 . .
H H05b -0.041335 0.153875 0.587994 0.0575 Uiso d . 1 . .
H H05c -0.251986 0.119662 0.551464 0.0575 Uiso d . 1 . .
H H06a 0.006714 0.601449 0.569459 0.0558 Uiso d . 1 . .
H H06b -0.123714 0.68128 0.624118 0.0558 Uiso d . 1 . .
H H06c 0.036851 0.496274 0.632394 0.0558 Uiso d . 1 . .
H H07a -0.320326 0.548353 0.511855 0.0602 Uiso d . 1 . .
H H07b -0.502282 0.410168 0.537903 0.0602 Uiso d . 1 . .
H H07c -0.451659 0.629233 0.566223 0.0602 Uiso d . 1 . .
H H09 -0.357939 0.112783 0.762896 0.0278 Uiso d . 1 . .
H H10a -0.148219 -0.171421 0.780122 0.0287 Uiso d . 1 . .
H H10b -0.072913 -0.114622 0.712411 0.0287 Uiso d . 1 . .
H H15 0.178039 0.312169 0.767162 0.0222 Uiso d . 1 . .
H H16a -0.138634 0.194466 0.843893 0.0272 Uiso d . 1 . .
H H16b -0.121985 0.400525 0.799589 0.0272 Uiso d . 1 . .
H H17 0.3089(12) 0.4673(12) 0.8524(3) 0.041(3) Uiso d . 1 . .
H H20 0.466062 0.168538 0.956153 0.0263 Uiso d . 1 . .
H H21 0.738239 0.083953 1.019619 0.0308 Uiso d . 1 . .
H H22 0.953208 -0.194395 0.999489 0.0346 Uiso d . 1 . .
H H23 0.885797 -0.396337 0.916759 0.0337 Uiso d . 1 . .
H H24 0.612065 -0.314302 0.853195 0.0266 Uiso d . 1 . .

ADP components: [ Help ]

Atom site label U11 U22 U33 U12 U13 U23 Atom site symbol
Si01 0.01832(7) 0.01957(9) 0.02222(9) -0.00039(7) -0.00323(6) 0.00023(7) Si
C02 0.0255(3) 0.0258(4) 0.0402(5) -0.0029(3) 0.0019(3) -0.0056(3) C
C03 0.0279(4) 0.0253(4) 0.0377(5) -0.0033(3) -0.0047(3) -0.0029(3) C
C04 0.0281(3) 0.0325(4) 0.0207(4) -0.0010(3) -0.0041(3) 0.0021(3) C
C05 0.0352(4) 0.0490(6) 0.0309(4) 0.0045(4) 0.0038(3) -0.0073(4) C
C06 0.0384(4) 0.0464(6) 0.0268(4) -0.0143(4) 0.0025(3) 0.0055(3) C
C07 0.0466(5) 0.0449(6) 0.0287(4) 0.0024(4) -0.0108(3) 0.0098(4) C
O08 0.0220(2) 0.0312(3) 0.0226(3) -0.00085(19) -0.00206(19) 0.0079(2) O
C09 0.0203(3) 0.0276(4) 0.0214(4) -0.0033(3) -0.0017(3) 0.0058(3) C
C10 0.0276(4) 0.0208(4) 0.0232(4) -0.0059(3) -0.0060(3) 0.0007(3) C
N11 0.0243(3) 0.0136(3) 0.0197(3) -0.0017(2) -0.0035(2) -0.0004(2) N
C12 0.0217(3) 0.0148(4) 0.0180(3) 0.0003(3) 0.0030(2) 0.0008(2) C
C13 0.0211(3) 0.0142(4) 0.0190(3) -0.0004(3) 0.0009(2) 0.0007(2) C
C14 0.0214(3) 0.0151(3) 0.0193(3) -0.0016(3) 0.0002(2) -0.0002(3) C
C15 0.0233(3) 0.0131(3) 0.0192(3) -0.0005(2) -0.0008(2) 0.0011(2) C
C16 0.0244(3) 0.0209(4) 0.0226(3) 0.0020(3) 0.0003(3) 0.0020(3) C
O17 0.0347(3) 0.0115(3) 0.0279(2) -0.0013(2) -0.0099(2) 0.00043(19) O
O18 0.0328(3) 0.0122(3) 0.0276(2) -0.00117(19) -0.0037(2) -0.00061(18) O
C19 0.0172(4) 0.0175(4) 0.0204(3) -0.0028(2) 0.0008(2) 0.0049(2) C
C20 0.0228(4) 0.0192(4) 0.0237(3) 0.0007(3) 0.0002(3) 0.0018(3) C
C21 0.0255(5) 0.0270(4) 0.0244(3) -0.0036(3) -0.0034(3) 0.0019(3) C
C22 0.0207(4) 0.0340(5) 0.0317(4) 0.0014(3) -0.0050(3) 0.0083(3) C
C23 0.0238(4) 0.0263(4) 0.0341(4) 0.0063(3) 0.0018(3) 0.0042(3) C
C24 0.0241(4) 0.0182(4) 0.0242(3) 0.0009(3) 0.0017(3) 0.0009(2) C

Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): [ Help ]

Wave vector code q_x q_z
1 0.14216 0.38390
2 0.28432 0.76780
3 0.42648 1.15170
4 0.56864 1.53560

Definition of the displacive (translational) Fourier series: [ Help ]

Modulation code Atom site label Displacement axis Wave vector code
Si01x1 Si01 x 1
Si01y1 Si01 y 1
Si01z1 Si01 z 1
Si01x2 Si01 x 2
Si01y2 Si01 y 2
Si01z2 Si01 z 2
Si01x3 Si01 x 3
Si01y3 Si01 y 3
Si01z3 Si01 z 3
Si01x4 Si01 x 4
Si01y4 Si01 y 4
Si01z4 Si01 z 4
C02x1 C02 x 1
C02y1 C02 y 1
C02z1 C02 z 1
C02x2 C02 x 2
C02y2 C02 y 2
C02z2 C02 z 2
C02x3 C02 x 3
C02y3 C02 y 3
C02z3 C02 z 3
C02x4 C02 x 4
C02y4 C02 y 4
C02z4 C02 z 4
C03x1 C03 x 1
C03y1 C03 y 1
C03z1 C03 z 1
C03x2 C03 x 2
C03y2 C03 y 2
C03z2 C03 z 2
C03x3 C03 x 3
C03y3 C03 y 3
C03z3 C03 z 3
C03x4 C03 x 4
C03y4 C03 y 4
C03z4 C03 z 4
C04x1 C04 x 1
C04y1 C04 y 1
C04z1 C04 z 1
C04x2 C04 x 2
C04y2 C04 y 2
C04z2 C04 z 2
C04x3 C04 x 3
C04y3 C04 y 3
C04z3 C04 z 3
C04x4 C04 x 4
C04y4 C04 y 4
C04z4 C04 z 4
C05x1 C05 x 1
C05y1 C05 y 1
C05z1 C05 z 1
C05x2 C05 x 2
C05y2 C05 y 2
C05z2 C05 z 2
C05x3 C05 x 3
C05y3 C05 y 3
C05z3 C05 z 3
C05x4 C05 x 4
C05y4 C05 y 4
C05z4 C05 z 4
C06x1 C06 x 1
C06y1 C06 y 1
C06z1 C06 z 1
C06x2 C06 x 2
C06y2 C06 y 2
C06z2 C06 z 2
C06x3 C06 x 3
C06y3 C06 y 3
C06z3 C06 z 3
C06x4 C06 x 4
C06y4 C06 y 4
C06z4 C06 z 4
C07x1 C07 x 1
C07y1 C07 y 1
C07z1 C07 z 1
C07x2 C07 x 2
C07y2 C07 y 2
C07z2 C07 z 2
C07x3 C07 x 3
C07y3 C07 y 3
C07z3 C07 z 3
C07x4 C07 x 4
C07y4 C07 y 4
C07z4 C07 z 4
O08x1 O08 x 1
O08y1 O08 y 1
O08z1 O08 z 1
O08x2 O08 x 2
O08y2 O08 y 2
O08z2 O08 z 2
O08x3 O08 x 3
O08y3 O08 y 3
O08z3 O08 z 3
O08x4 O08 x 4
O08y4 O08 y 4
O08z4 O08 z 4
C09x1 C09 x 1
C09y1 C09 y 1
C09z1 C09 z 1
C09x2 C09 x 2
C09y2 C09 y 2
C09z2 C09 z 2
C09x3 C09 x 3
C09y3 C09 y 3
C09z3 C09 z 3
C09x4 C09 x 4
C09y4 C09 y 4
C09z4 C09 z 4
C10x1 C10 x 1
C10y1 C10 y 1
C10z1 C10 z 1
C10x2 C10 x 2
C10y2 C10 y 2
C10z2 C10 z 2
C10x3 C10 x 3
C10y3 C10 y 3
C10z3 C10 z 3
C10x4 C10 x 4
C10y4 C10 y 4
C10z4 C10 z 4
N11x1 N11 x 1
N11y1 N11 y 1
N11z1 N11 z 1
N11x2 N11 x 2
N11y2 N11 y 2
N11z2 N11 z 2
N11x3 N11 x 3
N11y3 N11 y 3
N11z3 N11 z 3
N11x4 N11 x 4
N11y4 N11 y 4
N11z4 N11 z 4
C12x1 C12 x 1
C12y1 C12 y 1
C12z1 C12 z 1
C12x2 C12 x 2
C12y2 C12 y 2
C12z2 C12 z 2
C12x3 C12 x 3
C12y3 C12 y 3
C12z3 C12 z 3
C12x4 C12 x 4
C12y4 C12 y 4
C12z4 C12 z 4
C13x1 C13 x 1
C13y1 C13 y 1
C13z1 C13 z 1
C13x2 C13 x 2
C13y2 C13 y 2
C13z2 C13 z 2
C13x3 C13 x 3
C13y3 C13 y 3
C13z3 C13 z 3
C13x4 C13 x 4
C13y4 C13 y 4
C13z4 C13 z 4
C14x1 C14 x 1
C14y1 C14 y 1
C14z1 C14 z 1
C14x2 C14 x 2
C14y2 C14 y 2
C14z2 C14 z 2
C14x3 C14 x 3
C14y3 C14 y 3
C14z3 C14 z 3
C14x4 C14 x 4
C14y4 C14 y 4
C14z4 C14 z 4
C15x1 C15 x 1
C15y1 C15 y 1
C15z1 C15 z 1
C15x2 C15 x 2
C15y2 C15 y 2
C15z2 C15 z 2
C15x3 C15 x 3
C15y3 C15 y 3
C15z3 C15 z 3
C15x4 C15 x 4
C15y4 C15 y 4
C15z4 C15 z 4
C16x1 C16 x 1
C16y1 C16 y 1
C16z1 C16 z 1
C16x2 C16 x 2
C16y2 C16 y 2
C16z2 C16 z 2
C16x3 C16 x 3
C16y3 C16 y 3
C16z3 C16 z 3
C16x4 C16 x 4
C16y4 C16 y 4
C16z4 C16 z 4
O17x1 O17 x 1
O17y1 O17 y 1
O17z1 O17 z 1
O17x2 O17 x 2
O17y2 O17 y 2
O17z2 O17 z 2
O17x3 O17 x 3
O17y3 O17 y 3
O17z3 O17 z 3
O17x4 O17 x 4
O17y4 O17 y 4
O17z4 O17 z 4
O18x1 O18 x 1
O18y1 O18 y 1
O18z1 O18 z 1
O18x2 O18 x 2
O18y2 O18 y 2
O18z2 O18 z 2
O18x3 O18 x 3
O18y3 O18 y 3
O18z3 O18 z 3
O18x4 O18 x 4
O18y4 O18 y 4
O18z4 O18 z 4
C19x1 C19 x 1
C19y1 C19 y 1
C19z1 C19 z 1
C19x2 C19 x 2
C19y2 C19 y 2
C19z2 C19 z 2
C19x3 C19 x 3
C19y3 C19 y 3
C19z3 C19 z 3
C19x4 C19 x 4
C19y4 C19 y 4
C19z4 C19 z 4
C20x1 C20 x 1
C20y1 C20 y 1
C20z1 C20 z 1
C20x2 C20 x 2
C20y2 C20 y 2
C20z2 C20 z 2
C20x3 C20 x 3
C20y3 C20 y 3
C20z3 C20 z 3
C20x4 C20 x 4
C20y4 C20 y 4
C20z4 C20 z 4
C21x1 C21 x 1
C21y1 C21 y 1
C21z1 C21 z 1
C21x2 C21 x 2
C21y2 C21 y 2
C21z2 C21 z 2
C21x3 C21 x 3
C21y3 C21 y 3
C21z3 C21 z 3
C21x4 C21 x 4
C21y4 C21 y 4
C21z4 C21 z 4
C22x1 C22 x 1
C22y1 C22 y 1
C22z1 C22 z 1
C22x2 C22 x 2
C22y2 C22 y 2
C22z2 C22 z 2
C22x3 C22 x 3
C22y3 C22 y 3
C22z3 C22 z 3
C22x4 C22 x 4
C22y4 C22 y 4
C22z4 C22 z 4
C23x1 C23 x 1
C23y1 C23 y 1
C23z1 C23 z 1
C23x2 C23 x 2
C23y2 C23 y 2
C23z2 C23 z 2
C23x3 C23 x 3
C23y3 C23 y 3
C23z3 C23 z 3
C23x4 C23 x 4
C23y4 C23 y 4
C23z4 C23 z 4
C24x1 C24 x 1
C24y1 C24 y 1
C24z1 C24 z 1
C24x2 C24 x 2
C24y2 C24 y 2
C24z2 C24 z 2
C24x3 C24 x 3
C24y3 C24 y 3
C24z3 C24 z 3
C24x4 C24 x 4
C24y4 C24 y 4
C24z4 C24 z 4
H02ax1 H02a x 1
H02ay1 H02a y 1
H02az1 H02a z 1
H02ax2 H02a x 2
H02ay2 H02a y 2
H02az2 H02a z 2
H02ax3 H02a x 3
H02ay3 H02a y 3
H02az3 H02a z 3
H02ax4 H02a x 4
H02ay4 H02a y 4
H02az4 H02a z 4
H02bx1 H02b x 1
H02by1 H02b y 1
H02bz1 H02b z 1
H02bx2 H02b x 2
H02by2 H02b y 2
H02bz2 H02b z 2
H02bx3 H02b x 3
H02by3 H02b y 3
H02bz3 H02b z 3
H02bx4 H02b x 4
H02by4 H02b y 4
H02bz4 H02b z 4
H02cx1 H02c x 1
H02cy1 H02c y 1
H02cz1 H02c z 1
H02cx2 H02c x 2
H02cy2 H02c y 2
H02cz2 H02c z 2
H02cx3 H02c x 3
H02cy3 H02c y 3
H02cz3 H02c z 3
H02cx4 H02c x 4
H02cy4 H02c y 4
H02cz4 H02c z 4
H03ax1 H03a x 1
H03ay1 H03a y 1
H03az1 H03a z 1
H03ax2 H03a x 2
H03ay2 H03a y 2
H03az2 H03a z 2
H03ax3 H03a x 3
H03ay3 H03a y 3
H03az3 H03a z 3
H03ax4 H03a x 4
H03ay4 H03a y 4
H03az4 H03a z 4
H03bx1 H03b x 1
H03by1 H03b y 1
H03bz1 H03b z 1
H03bx2 H03b x 2
H03by2 H03b y 2
H03bz2 H03b z 2
H03bx3 H03b x 3
H03by3 H03b y 3
H03bz3 H03b z 3
H03bx4 H03b x 4
H03by4 H03b y 4
H03bz4 H03b z 4
H03cx1 H03c x 1
H03cy1 H03c y 1
H03cz1 H03c z 1
H03cx2 H03c x 2
H03cy2 H03c y 2
H03cz2 H03c z 2
H03cx3 H03c x 3
H03cy3 H03c y 3
H03cz3 H03c z 3
H03cx4 H03c x 4
H03cy4 H03c y 4
H03cz4 H03c z 4
H05ax1 H05a x 1
H05ay1 H05a y 1
H05az1 H05a z 1
H05ax2 H05a x 2
H05ay2 H05a y 2
H05az2 H05a z 2
H05ax3 H05a x 3
H05ay3 H05a y 3
H05az3 H05a z 3
H05ax4 H05a x 4
H05ay4 H05a y 4
H05az4 H05a z 4
H05bx1 H05b x 1
H05by1 H05b y 1
H05bz1 H05b z 1
H05bx2 H05b x 2
H05by2 H05b y 2
H05bz2 H05b z 2
H05bx3 H05b x 3
H05by3 H05b y 3
H05bz3 H05b z 3
H05bx4 H05b x 4
H05by4 H05b y 4
H05bz4 H05b z 4
H05cx1 H05c x 1
H05cy1 H05c y 1
H05cz1 H05c z 1
H05cx2 H05c x 2
H05cy2 H05c y 2
H05cz2 H05c z 2
H05cx3 H05c x 3
H05cy3 H05c y 3
H05cz3 H05c z 3
H05cx4 H05c x 4
H05cy4 H05c y 4
H05cz4 H05c z 4
H06ax1 H06a x 1
H06ay1 H06a y 1
H06az1 H06a z 1
H06ax2 H06a x 2
H06ay2 H06a y 2
H06az2 H06a z 2
H06ax3 H06a x 3
H06ay3 H06a y 3
H06az3 H06a z 3
H06ax4 H06a x 4
H06ay4 H06a y 4
H06az4 H06a z 4
H06bx1 H06b x 1
H06by1 H06b y 1
H06bz1 H06b z 1
H06bx2 H06b x 2
H06by2 H06b y 2
H06bz2 H06b z 2
H06bx3 H06b x 3
H06by3 H06b y 3
H06bz3 H06b z 3
H06bx4 H06b x 4
H06by4 H06b y 4
H06bz4 H06b z 4
H06cx1 H06c x 1
H06cy1 H06c y 1
H06cz1 H06c z 1
H06cx2 H06c x 2
H06cy2 H06c y 2
H06cz2 H06c z 2
H06cx3 H06c x 3
H06cy3 H06c y 3
H06cz3 H06c z 3
H06cx4 H06c x 4
H06cy4 H06c y 4
H06cz4 H06c z 4
H07ax1 H07a x 1
H07ay1 H07a y 1
H07az1 H07a z 1
H07ax2 H07a x 2
H07ay2 H07a y 2
H07az2 H07a z 2
H07ax3 H07a x 3
H07ay3 H07a y 3
H07az3 H07a z 3
H07ax4 H07a x 4
H07ay4 H07a y 4
H07az4 H07a z 4
H07bx1 H07b x 1
H07by1 H07b y 1
H07bz1 H07b z 1
H07bx2 H07b x 2
H07by2 H07b y 2
H07bz2 H07b z 2
H07bx3 H07b x 3
H07by3 H07b y 3
H07bz3 H07b z 3
H07bx4 H07b x 4
H07by4 H07b y 4
H07bz4 H07b z 4
H07cx1 H07c x 1
H07cy1 H07c y 1
H07cz1 H07c z 1
H07cx2 H07c x 2
H07cy2 H07c y 2
H07cz2 H07c z 2
H07cx3 H07c x 3
H07cy3 H07c y 3
H07cz3 H07c z 3
H07cx4 H07c x 4
H07cy4 H07c y 4
H07cz4 H07c z 4
H09x1 H09 x 1
H09y1 H09 y 1
H09z1 H09 z 1
H09x2 H09 x 2
H09y2 H09 y 2
H09z2 H09 z 2
H09x3 H09 x 3
H09y3 H09 y 3
H09z3 H09 z 3
H09x4 H09 x 4
H09y4 H09 y 4
H09z4 H09 z 4
H10ax1 H10a x 1
H10ay1 H10a y 1
H10az1 H10a z 1
H10ax2 H10a x 2
H10ay2 H10a y 2
H10az2 H10a z 2
H10ax3 H10a x 3
H10ay3 H10a y 3
H10az3 H10a z 3
H10ax4 H10a x 4
H10ay4 H10a y 4
H10az4 H10a z 4
H10bx1 H10b x 1
H10by1 H10b y 1
H10bz1 H10b z 1
H10bx2 H10b x 2
H10by2 H10b y 2
H10bz2 H10b z 2
H10bx3 H10b x 3
H10by3 H10b y 3
H10bz3 H10b z 3
H10bx4 H10b x 4
H10by4 H10b y 4
H10bz4 H10b z 4
H15x1 H15 x 1
H15y1 H15 y 1
H15z1 H15 z 1
H15x2 H15 x 2
H15y2 H15 y 2
H15z2 H15 z 2
H15x3 H15 x 3
H15y3 H15 y 3
H15z3 H15 z 3
H15x4 H15 x 4
H15y4 H15 y 4
H15z4 H15 z 4
H16ax1 H16a x 1
H16ay1 H16a y 1
H16az1 H16a z 1
H16ax2 H16a x 2
H16ay2 H16a y 2
H16az2 H16a z 2
H16ax3 H16a x 3
H16ay3 H16a y 3
H16az3 H16a z 3
H16ax4 H16a x 4
H16ay4 H16a y 4
H16az4 H16a z 4
H16bx1 H16b x 1
H16by1 H16b y 1
H16bz1 H16b z 1
H16bx2 H16b x 2
H16by2 H16b y 2
H16bz2 H16b z 2
H16bx3 H16b x 3
H16by3 H16b y 3
H16bz3 H16b z 3
H16bx4 H16b x 4
H16by4 H16b y 4
H16bz4 H16b z 4
H17x1 H17 x 1
H17y1 H17 y 1
H17z1 H17 z 1
H17x2 H17 x 2
H17y2 H17 y 2
H17z2 H17 z 2
H17x3 H17 x 3
H17y3 H17 y 3
H17z3 H17 z 3
H17x4 H17 x 4
H17y4 H17 y 4
H17z4 H17 z 4
H20x1 H20 x 1
H20y1 H20 y 1
H20z1 H20 z 1
H20x2 H20 x 2
H20y2 H20 y 2
H20z2 H20 z 2
H20x3 H20 x 3
H20y3 H20 y 3
H20z3 H20 z 3
H20x4 H20 x 4
H20y4 H20 y 4
H20z4 H20 z 4
H21x1 H21 x 1
H21y1 H21 y 1
H21z1 H21 z 1
H21x2 H21 x 2
H21y2 H21 y 2
H21z2 H21 z 2
H21x3 H21 x 3
H21y3 H21 y 3
H21z3 H21 z 3
H21x4 H21 x 4
H21y4 H21 y 4
H21z4 H21 z 4
H22x1 H22 x 1
H22y1 H22 y 1
H22z1 H22 z 1
H22x2 H22 x 2
H22y2 H22 y 2
H22z2 H22 z 2
H22x3 H22 x 3
H22y3 H22 y 3
H22z3 H22 z 3
H22x4 H22 x 4
H22y4 H22 y 4
H22z4 H22 z 4
H23x1 H23 x 1
H23y1 H23 y 1
H23z1 H23 z 1
H23x2 H23 x 2
H23y2 H23 y 2
H23z2 H23 z 2
H23x3 H23 x 3
H23y3 H23 y 3
H23z3 H23 z 3
H23x4 H23 x 4
H23y4 H23 y 4
H23z4 H23 z 4
H24x1 H24 x 1
H24y1 H24 y 1
H24z1 H24 z 1
H24x2 H24 x 2
H24y2 H24 y 2
H24z2 H24 z 2
H24x3 H24 x 3
H24y3 H24 y 3
H24z3 H24 z 3
H24x4 H24 x 4
H24y4 H24 y 4
H24z4 H24 z 4

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Si01x1 0.05002(4) 0.01187(3)
Si01y1 -0.01976(5) -0.00321(4)
Si01z1 0.014010(12) -0.032703(10)
Si01x2 0.00531(4) -0.00302(3)
Si01y2 0.00137(4) -0.00245(4)
Si01z2 0.000232(12) 0.002931(11)
Si01x3 -0.00027(4) -0.00165(4)
Si01y3 -0.00084(5) 0.00295(5)
Si01z3 0.000230(14) -0.001042(14)
Si01x4 0.00044(4) 0.00017(4)
Si01y4 -0.00028(6) 0.00004(6)
Si01z4 0.000429(12) 0.000463(13)
C02x1 0.06423(16) 0.01948(16)
C02y1 -0.02180(17) 0.00385(17)
C02z1 0.01805(5) -0.03411(5)
C02x2 0.00373(16) 0.00023(16)
C02y2 0.00158(17) -0.00333(17)
C02z2 -0.00018(5) 0.00416(5)
C02x3 -0.00050(18) -0.00257(18)
C02y3 -0.0010(2) 0.0022(2)
C02z3 0.00020(6) -0.00114(6)
C02x4 0.00062(15) -0.00007(15)
C02y4 -0.0002(2) -0.0003(2)
C02z4 0.00045(5) 0.00061(5)
C03x1 0.04482(16) -0.00293(15)
C03y1 -0.01889(17) 0.00427(16)
C03z1 0.01316(5) -0.03441(5)
C03x2 0.00499(16) -0.00667(15)
C03y2 -0.00018(16) -0.00180(17)
C03z2 0.00125(5) 0.00345(5)
C03x3 -0.00090(17) -0.00011(17)
C03y3 0.0011(2) 0.0029(2)
C03z3 -0.00059(6) -0.00145(6)
C03x4 0.00032(15) 0.00001(15)
C03y4 -0.0006(2) -0.0001(2)
C03z4 0.00063(5) -0.00007(5)
C04x1 0.02095(15) 0.00598(15)
C04y1 -0.01767(17) -0.00995(16)
C04z1 0.00806(5) -0.03440(4)
C04x2 0.00582(15) -0.00881(15)
C04y2 0.00134(17) -0.00102(16)
C04z2 0.00085(5) 0.00222(5)
C04x3 -0.00073(16) 0.00043(16)
C04y3 -0.00011(19) 0.00338(19)
C04z3 0.00009(5) -0.00052(5)
C04x4 -0.00068(11) -0.00028(11)
C04y4 -0.00035(13) 0.00082(13)
C04z4 0.00034(3) 0.00027(3)
C05x1 0.00977(17) -0.00430(17)
C05y1 -0.0163(2) -0.0148(2)
C05z1 0.00482(5) -0.03448(5)
C05x2 0.00568(17) -0.01062(17)
C05y2 0.0010(2) -0.0002(2)
C05z2 0.00090(5) 0.00155(5)
C05x3 -0.00084(18) 0.00153(18)
C05y3 -0.0002(2) 0.0050(2)
C05z3 -0.00001(6) -0.00048(6)
C05x4 -0.00089(16) -0.00015(16)
C05y4 0.0002(2) 0.0010(2)
C05z4 0.00029(5) 0.00010(5)
C06x1 0.02342(17) 0.01717(18)
C06y1 -0.0139(2) -0.0185(2)
C06z1 0.00918(5) -0.03502(5)
C06x2 0.00860(17) -0.00579(17)
C06y2 0.00093(19) -0.00078(19)
C06z2 0.00047(5) 0.00161(5)
C06x3 -0.00037(18) -0.00070(18)
C06y3 -0.0024(2) 0.0032(2)
C06z3 -0.00003(6) 0.00000(6)
C06x4 -0.00017(15) -0.00094(16)
C06y4 -0.0001(2) 0.0010(2)
C06z4 -0.00002(5) 0.00041(5)
C07x1 0.00473(19) 0.00530(18)
C07y1 -0.0182(2) -0.0014(2)
C07z1 0.00491(6) -0.03596(5)
C07x2 0.00044(18) -0.01443(18)
C07y2 0.0008(2) -0.0014(2)
C07z2 0.00237(5) 0.00240(5)
C07x3 0.00047(19) 0.00174(19)
C07y3 0.0030(2) 0.0031(2)
C07z3 -0.00042(6) -0.00068(6)
C07x4 -0.00149(17) 0.00049(17)
C07y4 0.0001(2) 0.0009(2)
C07z4 0.00053(5) -0.00007(5)
O08x1 0.06195(10) 0.02994(9)
O08y1 -0.01770(11) -0.01108(11)
O08z1 0.01642(3) -0.02998(3)
O08x2 0.00313(10) 0.00123(10)
O08y2 0.00403(11) -0.00175(11)
O08z2 -0.00026(3) 0.00196(3)
O08x3 0.00228(11) -0.00191(11)
O08y3 -0.00266(14) 0.00144(14)
O08z3 0.00070(4) -0.00042(4)
O08x4 -0.00020(10) 0.00104(10)
O08y4 -0.00004(15) -0.00029(15)
O08z4 -0.00014(3) 0.00044(3)
C09x1 0.08082(15) 0.03981(15)
C09y1 -0.01517(16) -0.01832(16)
C09z1 0.02072(4) -0.02870(4)
C09x2 -0.00088(15) 0.00207(16)
C09y2 0.00388(16) -0.00174(17)
C09z2 -0.00115(4) 0.00165(5)
C09x3 0.00372(18) -0.00151(18)
C09y3 -0.0032(2) 0.0003(2)
C09z3 0.00094(5) -0.00023(5)
C09x4 -0.00135(14) 0.00192(14)
C09y4 0.00033(18) -0.00055(18)
C09z4 -0.00026(4) 0.00027(4)
C10x1 0.07452(15) 0.05724(16)
C10y1 -0.01362(15) -0.01443(16)
C10z1 0.02015(5) -0.02746(5)
C10x2 -0.00277(15) 0.00287(16)
C10y2 0.00280(16) -0.00079(17)
C10z2 -0.00120(5) 0.00103(5)
C10x3 0.00552(18) -0.00062(18)
C10y3 -0.00248(19) -0.0003(2)
C10z3 0.00074(6) -0.00005(6)
C10x4 -0.00242(14) 0.00150(14)
C10y4 0.00047(17) -0.00027(18)
C10z4 -0.00032(4) 0.00014(4)
N11x1 0.06915(12) 0.07051(12)
N11y1 -0.01081(12) -0.01362(12)
N11z1 0.01842(3) -0.02057(3)
N11x2 -0.00436(12) 0.00010(13)
N11y2 0.00154(13) 0.00111(12)
N11z2 -0.00134(3) 0.00149(3)
N11x3 0.00384(14) 0.00315(14)
N11y3 -0.00085(16) -0.00200(15)
N11z3 0.00077(4) 0.00044(4)
N11x4 -0.00228(13) -0.00132(13)
N11y4 -0.00027(16) 0.00000(16)
N11z4 -0.00040(4) -0.00015(4)
C12x1 0.07004(14) 0.08402(14)
C12y1 -0.00609(15) -0.01601(15)
C12z1 0.01899(4) -0.01711(4)
C12x2 -0.00528(15) -0.00294(14)
C12y2 0.00099(15) 0.00128(15)
C12z2 -0.00169(4) 0.00089(4)
C12x3 0.00147(18) 0.00433(17)
C12y3 0.00023(19) -0.00218(19)
C12z3 0.00042(5) 0.00102(5)
C12x4 -0.00126(17) -0.00246(17)
C12y4 0.0000(2) -0.0008(2)
C12z4 -0.00011(5) -0.00035(5)
C13x1 0.07334(15) 0.09685(15)
C13y1 -0.00176(15) -0.01749(14)
C13z1 0.01645(4) -0.01304(4)
C13x2 -0.00380(15) -0.00438(15)
C13y2 0.00046(15) 0.00109(15)
C13z2 -0.00234(4) 0.00019(4)
C13x3 -0.00168(18) 0.00367(18)
C13y3 0.00136(19) -0.00093(19)
C13z3 -0.00018(5) 0.00117(5)
C13x4 0.00040(18) -0.00152(18)
C13y4 0.0001(2) -0.0001(2)
C13z4 0.00021(5) -0.00048(5)
C14x1 0.08108(14) 0.08662(15)
C14y1 -0.00321(15) -0.01733(15)
C14z1 0.01562(4) -0.01344(4)
C14x2 -0.00231(15) -0.00373(15)
C14y2 0.00118(15) 0.00182(15)
C14z2 -0.00288(4) 0.00070(4)
C14x3 -0.00095(19) 0.00451(18)
C14y3 0.00110(18) -0.00180(18)
C14z3 0.00005(5) 0.00100(4)
C14x4 0.00021(18) -0.00089(18)
C14y4 -0.0005(2) -0.0003(2)
C14z4 0.00011(5) -0.00072(5)
C15x1 0.07654(14) 0.06721(14)
C15y1 -0.00879(14) -0.01564(14)
C15z1 0.01768(4) -0.01813(4)
C15x2 -0.00353(14) -0.00118(14)
C15y2 0.00152(15) 0.00107(15)
C15z2 -0.00198(4) 0.00170(4)
C15x3 0.00247(17) 0.00354(17)
C15y3 -0.00093(18) -0.00251(18)
C15z3 0.00067(5) 0.00057(5)
C15x4 -0.00109(16) -0.00104(16)
C15y4 -0.00015(17) 0.00006(17)
C15z4 -0.00051(5) -0.00035(5)
C16x1 0.09269(14) 0.05029(14)
C16y1 -0.01008(15) -0.02031(16)
C16z1 0.02241(4) -0.02262(4)
C16x2 -0.00284(15) -0.00119(15)
C16y2 0.00325(16) -0.00102(16)
C16z2 -0.00157(4) 0.00172(4)
C16x3 0.00361(18) 0.00180(18)
C16y3 -0.0022(2) -0.00156(19)
C16z3 0.00079(5) 0.00033(5)
C16x4 -0.00181(13) -0.00012(13)
C16y4 0.00049(14) 0.00003(14)
C16z4 -0.00047(4) 0.00001(4)
O17x1 0.08952(11) 0.09564(12)
O17y1 -0.00064(11) -0.01795(11)
O17z1 0.01195(3) -0.01106(3)
O17x2 0.00045(12) -0.00413(12)
O17y2 0.00062(11) 0.00160(11)
O17z2 -0.00399(3) -0.00001(3)
O17x3 -0.00274(14) 0.00384(14)
O17y3 0.00120(14) -0.00129(14)
O17z3 -0.00013(3) 0.00071(3)
O17x4 0.00001(14) 0.00010(14)
O17y4 -0.00004(16) -0.00019(16)
O17z4 0.00065(4) -0.00079(4)
O18x1 0.06636(11) 0.08806(11)
O18y1 -0.00602(11) -0.01653(10)
O18z1 0.02114(3) -0.01873(3)
O18x2 -0.00625(11) -0.00329(11)
O18y2 0.00116(10) 0.00106(11)
O18z2 -0.00126(3) 0.00084(3)
O18x3 0.00178(13) 0.00393(13)
O18y3 0.00033(13) -0.00188(13)
O18z3 0.00057(4) 0.00112(4)
O18x4 -0.00149(13) -0.00263(13)
O18y4 -0.00002(15) -0.00046(15)
O18z4 -0.00008(4) -0.00018(4)
C19x1 0.06308(16) 0.11872(15)
C19y1 0.00525(15) -0.01633(15)
C19z1 0.01472(4) -0.01051(4)
C19x2 -0.00384(16) -0.00609(16)
C19y2 0.00031(15) 0.00153(15)
C19z2 -0.00151(4) -0.00109(4)
C19x3 -0.00300(19) 0.00170(19)
C19y3 0.00180(18) 0.00035(18)
C19z3 -0.00098(5) 0.00074(5)
C19x4 0.00128(18) -0.00043(17)
C19y4 0.0005(2) -0.0002(2)
C19z4 0.00063(5) -0.00004(5)
C20x1 0.06705(17) 0.13514(17)
C20y1 0.01455(16) -0.01544(16)
C20z1 0.01375(4) -0.00873(4)
C20x2 -0.00838(17) -0.00860(17)
C20y2 -0.00068(17) 0.00162(16)
C20z2 -0.00083(4) -0.00148(4)
C20x3 -0.0034(2) -0.0004(2)
C20y3 0.0007(2) 0.0009(2)
C20z3 -0.00112(5) 0.00035(5)
C20x4 0.00259(19) 0.00000(19)
C20y4 0.0006(2) 0.0001(2)
C20z4 0.00053(5) 0.00040(5)
C21x1 0.04375(19) 0.15796(18)
C21y1 0.01692(17) -0.00929(18)
C21z1 0.01188(4) -0.00864(4)
C21x2 -0.00500(18) -0.01333(18)
C21y2 -0.00070(18) 0.00265(18)
C21z2 0.00074(4) -0.00121(4)
C21x3 -0.0020(2) -0.0026(2)
C21y3 -0.0013(2) 0.0005(2)
C21z3 -0.00103(5) -0.00013(5)
C21x4 0.00139(19) 0.00216(19)
C21y4 0.0008(2) -0.0001(2)
C21z4 -0.00008(6) 0.00047(6)
C22x1 0.01950(19) 0.15701(17)
C22y1 0.00906(19) -0.00875(19)
C22z1 0.01186(4) -0.00987(4)
C22x2 -0.00115(17) -0.01056(17)
C22y2 0.00026(19) 0.00413(19)
C22z2 0.00142(4) -0.00050(4)
C22x3 -0.0020(2) -0.0035(2)
C22y3 -0.0015(2) 0.0003(2)
C22z3 -0.00101(5) -0.00055(5)
C22x4 0.00050(19) 0.00195(18)
C22y4 0.0002(3) 0.0000(3)
C22z4 -0.00053(6) 0.00036(6)
C23x1 0.02210(17) 0.14015(16)
C23y1 0.00196(17) -0.01207(17)
C23z1 0.01261(4) -0.01063(4)
C23x2 0.00047(17) -0.00693(17)
C23y2 0.00212(18) 0.00358(18)
C23z2 0.00088(4) -0.00085(4)
C23x3 -0.0035(2) -0.0018(2)
C23y3 -0.0011(2) 0.0015(2)
C23z3 -0.00126(5) -0.00007(5)
C23x4 0.0008(2) 0.0008(2)
C23y4 -0.0001(2) -0.0005(2)
C23z4 0.00006(6) 0.00059(6)
C24x1 0.04282(15) 0.12378(15)
C24y1 0.00051(15) -0.01439(15)
C24z1 0.01368(4) -0.01104(4)
C24x2 0.00004(16) -0.00634(15)
C24y2 0.00217(15) 0.00180(15)
C24z2 -0.00048(4) -0.00110(4)
C24x3 -0.00404(19) 0.00100(19)
C24y3 0.00091(19) 0.00094(19)
C24z3 -0.00123(5) 0.00061(5)
C24x4 0.00095(18) 0.00019(18)
C24y4 -0.0002(2) 0.0000(2)
C24z4 0.00053(5) 0.00022(6)
H02ax1 0.0563 0.0109
H02ay1 -0.0204 0.0082
H02az1 0.0161 -0.037
H02ax2 0.0041 -0.0029
H02ay2 0.0004 -0.0023
H02az2 0.0012 0.0049
H02ax3 -0.0015 -0.0013
H02ay3 0 0.0026
H02az3 -0.0004 -0.0012
H02ax4 0.0002 -0.0005
H02ay4 -0.0005 0
H02az4 0.0008 0.0002
H02bx1 0.0791 0.0237
H02by1 -0.0238 0.0078
H02bz1 0.0212 -0.0328
H02bx2 0.0024 0.0032
H02by2 0.0021 -0.0042
H02bz2 -0.0008 0.0044
H02bx3 0 -0.0035
H02by3 -0.0013 0.0014
H02bz3 0.0004 -0.0013
H02bx4 0.0009 0.0003
H02by4 0 -0.0006
H02bz4 0.0004 0.0007
H02cx1 0.0634 0.0298
H02cy1 -0.0216 -0.0008
H02cz1 0.0187 -0.0335
H02cx2 0.0027 0.0016
H02cy2 0.0027 -0.0034
H02cz2 -0.0008 0.0037
H02cx3 0.0004 -0.003
H02cy3 -0.0016 0.0018
H02cz3 0.0005 -0.0007
H02cx4 0.0006 0.0001
H02cy4 -0.0001 -0.0002
H02cz4 0.0001 0.0007
H03ax1 0.0343 -0.0065
H03ay1 -0.0171 0.0082
H03az1 0.0111 -0.0371
H03ax2 0.0026 -0.0098
H03ay2 -0.0007 -0.0007
H03az2 0.0025 0.0036
H03ax3 -0.0004 0.0008
H03ay3 0.0023 0.0021
H03az3 -0.0013 -0.0011
H03ax4 -0.0001 -0.0001
H03ay4 -0.0006 0.0002
H03az4 0.0006 -0.0005
H03bx1 0.0361 -0.0047
H03by1 -0.019 0.0016
H03bz1 0.0112 -0.0336
H03bx2 0.0055 -0.0084
H03by2 0 -0.0016
H03bz2 0.0013 0.0029
H03bx3 -0.0007 0.0004
H03by3 0.001 0.0032
H03bz3 -0.0005 -0.0014
H03bx4 0.0003 0.0002
H03by4 -0.0003 0.0001
H03bz4 0.0005 -0.0001
H03cx1 0.0602 -0.0025
H03cy1 -0.0193 0.0067
H03cz1 0.0164 -0.0338
H03cx2 0.005 -0.0036
H03cy2 -0.0002 -0.0025
H03cz2 0.0008 0.0038
H03cx3 -0.0011 -0.001
H03cy3 0.0008 0.0026
H03cz3 -0.0004 -0.0017
H03cx4 0.0007 0.0002
H03cy4 -0.0009 -0.0004
H03cz4 0.0007 0
H05ax1 -0.0057 -0.0061
H05ay1 -0.0151 -0.0184
H05az1 0.0017 -0.0351
H05ax2 0.0055 -0.0136
H05ay2 0.0009 0.0005
H05az2 0.0012 0.0012
H05ax3 -0.0008 0.0025
H05ay3 0.0004 0.006
H05az3 0 -0.0002
H05ax4 -0.0016 -0.0003
H05ay4 0.0004 0.0013
H05az4 0.0002 0
H05bx1 0.0216 -0.0011
H05by1 -0.0136 -0.0201
H05bz1 0.0067 -0.0345
H05bx2 0.0072 -0.0068
H05by2 0.0009 -0.0004
H05bz2 0.0006 0.0011
H05bx3 -0.001 0.0004
H05by3 -0.0024 0.0043
H05bz3 0.0001 -0.0004
H05bx4 -0.0004 -0.0001
H05by4 -0.0002 0.001
H05bz4 0.0001 0.0001
H05cx1 0.0054 -0.0097
H05cy1 -0.0178 -0.0088
H05cz1 0.0041 -0.0341
H05cx2 0.003 -0.0121
H05cy2 0.0011 -0.0005
H05cz2 0.0012 0.0019
H05cx3 0 0.0025
H05cy3 0.0016 0.0045
H05cz3 -0.0003 -0.0008
H05cx4 -0.0008 0.0002
H05cy4 0.0004 0.0008
H05cz4 0.0004 -0.0001
H06ax1 0.0088 0.0123
H06ay1 -0.0128 -0.0219
H06az1 0.0061 -0.0362
H06ax2 0.0095 -0.0088
H06ay2 0.0006 -0.0001
H06az2 0.0009 0.0013
H06ax3 -0.0012 0.0002
H06ay3 -0.0023 0.0035
H06az3 -0.0002 0.0002
H06ax4 -0.0004 -0.0013
H06ay4 -0.0001 0.0014
H06az4 0 0.0004
H06bx1 0.0298 0.0243
H06by1 -0.0151 -0.0156
H06bz1 0.011 -0.0347
H06bx2 0.0087 -0.0047
H06by2 0.0012 -0.0012
H06bz2 0.0004 0.002
H06bx3 0.0002 -0.0013
H06by3 -0.0022 0.0031
H06bz3 0.0001 -0.0001
H06bx4 -0.0004 -0.0012
H06by4 0 0.0007
H06bz4 -0.0001 0.0005
H06cx1 0.0314 0.0244
H06cy1 -0.01 -0.0226
H06cz1 0.0114 -0.0348
H06cx2 0.008 -0.0019
H06cy2 0.0008 -0.001
H06cz2 0.0003 0.0011
H06cx3 0.0009 -0.0011
H06cy3 -0.0038 0.0018
H06cz3 -0.0003 0.0001
H06cx4 0.0002 -0.0005
H06cy4 -0.0005 0.0011
H06cz4 -0.0002 0.0003
H07ax1 -0.0101 0.0077
H07ay1 -0.0182 -0.0053
H07az1 0.0017 -0.036
H07ax2 -0.0015 -0.0171
H07ay2 0.0013 -0.0007
H07az2 0.0025 0.0019
H07ax3 0.0012 0.0024
H07ay3 0.0035 0.0029
H07az3 -0.0003 -0.0005
H07ax4 -0.0019 0.0007
H07ay4 0.0005 0.0012
H07az4 0.0005 -0.0001
H07bx1 0.0005 0.0019
H07by1 -0.0171 0.0044
H07bz1 0.0041 -0.0366
H07bx2 -0.0029 -0.0145
H07by2 0.0003 -0.0018
H07bz2 0.0032 0.0023
H07bx3 0.0012 0.0016
H07by3 0.0042 0.0018
H07bz3 -0.0009 -0.0006
H07bx4 -0.001 0.0011
H07by4 0.0003 0.0009
H07bz4 0.0005 -0.0004
H07cx1 0.0134 0.0095
H07cy1 -0.0181 0.0018
H07cz1 0.0068 -0.0366
H07cx2 0.0007 -0.0137
H07cy2 0.0006 -0.0018
H07cz2 0.0026 0.0028
H07cx3 0.0005 0.0015
H07cy3 0.003 0.0029
H07cz3 -0.0004 -0.0007
H07cx4 -0.0016 0.0004
H07cy4 0 0.0007
H07cz4 0.0006 0
H09x1 0.0879 0.0299
H09y1 -0.018 -0.0237
H09z1 0.022 -0.0325
H09x2 -0.0005 0.002
H09y2 0.0042 -0.0037
H09z2 -0.0014 0.0019
H09x3 0.003 -0.0028
H09y3 -0.0035 0.0019
H09z3 0.001 -0.0006
H09x4 -0.0003 0.0024
H09y4 0 -0.0013
H09z4 -0.0001 0.0003
H10ax1 0.085 0.0578
H10ay1 -0.0122 -0.0215
H10az1 0.0229 -0.0295
H10ax2 -0.0045 0.0019
H10ay2 0.0031 -0.0019
H10az2 -0.0015 0.0006
H10ax3 0.0059 -0.0005
H10ay3 -0.0034 -0.0005
H10az3 0.0006 0
H10ax4 -0.0027 0.0015
H10ay4 0.0006 -0.0004
H10az4 -0.0003 0.0001
H10bx1 0.0624 0.0595
H10by1 -0.016 -0.0066
H10bz1 0.0173 -0.0296
H10bx2 -0.0003 0.005
H10by2 0.003 0.0002
H10bz2 -0.0009 0.001
H10bx3 0.0054 -0.0027
H10by3 -0.0018 0.0002
H10bz3 0.0006 -0.0003
H10bx4 -0.0018 0.0027
H10by4 0.0003 -0.0001
H10bz4 -0.0002 0.0002
H15x1 0.066 0.0649
H15y1 -0.011 -0.0131
H15z1 0.0149 -0.0178
H15x2 -0.0033 -0.0004
H15y2 0.0006 0.0018
H15z2 -0.002 0.0021
H15x3 0.0025 0.0034
H15y3 -0.0009 -0.0026
H15z3 0.0007 0.0004
H15x4 -0.001 -0.0008
H15y4 -0.0004 -0.0001
H15z4 -0.0006 -0.0003
H16ax1 0.1069 0.0543
H16ay1 -0.0079 -0.0224
H16az1 0.0253 -0.0216
H16ax2 -0.0035 -0.0029
H16ay2 0.0031 -0.0021
H16az2 -0.002 0.0012
H16ax3 0.0031 0.0026
H16ay3 -0.0017 -0.0017
H16az3 0.0008 0.0005
H16ax4 -0.0016 -0.0006
H16ay4 0.0006 0.0001
H16az4 -0.0004 -0.0001
H16bx1 0.0923 0.0438
H16by1 -0.0109 -0.0203
H16bz1 0.0221 -0.0231
H16bx2 -0.0018 -0.0015
H16by2 0.0034 -0.0012
H16bz2 -0.0013 0.0022
H16bx3 0.0036 0.0015
H16by3 -0.0025 -0.0013
H16bz3 0.0007 0.0003
H16bx4 -0.0016 0
H16by4 0.0005 -0.0001
H16bz4 -0.0005 0.0001
H17x1 0.0833(17) 0.0881(17)
H17y1 -0.0018(16) -0.0158(16)
H17z1 0.0141(5) -0.0124(5)
H17x2 -0.0018(18) -0.0053(18)
H17y2 0.0028(16) 0.0021(16)
H17z2 -0.0036(4) 0.0008(4)
H17x3 -0.0040(19) 0.0040(19)
H17y3 0.0000(18) -0.0009(18)
H17z3 0.0011(5) 0.0006(5)
H17x4 0.0047(19) -0.0008(18)
H17y4 -0.005(2) -0.001(2)
H17z4 0.0007(5) -0.0005(5)
H20x1 0.082 0.1306
H20y1 0.0181 -0.0179
H20z1 0.0145 -0.0082
H20x2 -0.012 -0.0081
H20y2 -0.0022 0.0014
H20z2 -0.0015 -0.0014
H20x3 -0.0031 -0.0002
H20y3 0.0011 0.0006
H20z3 -0.001 0.0005
H20x4 0.0031 -0.0007
H20y4 0.001 -0.0002
H20z4 0.0007 0.0003
H21x1 0.0411 0.1726
H21y1 0.0228 -0.0051
H21z1 0.0111 -0.0084
H21x2 -0.0042 -0.0177
H21y2 -0.0016 0.0022
H21z2 0.0011 -0.001
H21x3 -0.0007 -0.0033
H21y3 -0.0016 -0.0004
H21z3 -0.0009 -0.0002
H21x4 0.0006 0.0031
H21y4 0.0007 0.0002
H21z4 -0.0003 0.0004
H22x1 -0.0023 0.1662
H22y1 0.0086 -0.0064
H22z1 0.0118 -0.0106
H22x2 0.0014 -0.0117
H22y2 -0.0013 0.0054
H22z2 0.0019 0.0005
H22x3 -0.0002 -0.0042
H22y3 -0.0015 -0.001
H22z3 -0.0007 -0.0009
H22x4 -0.0007 0.0023
H22y4 0.0001 0.0001
H22z4 -0.0007 -0.0002
H23x1 0.006 0.1391
H23y1 -0.0027 -0.0121
H23z1 0.0126 -0.0114
H23x2 0.0029 -0.0056
H23y2 0.0027 0.0045
H23z2 0.0013 -0.0004
H23x3 -0.0036 -0.0022
H23y3 -0.0016 0.0013
H23z3 -0.0013 -0.0003
H23x4 0.0004 0.0005
H23y4 -0.0002 -0.001
H23z4 0 0.0007
H24x1 0.0403 0.1153
H24y1 -0.0042 -0.0144
H24z1 0.0139 -0.0122
H24x2 0.0026 -0.0067
H24y2 0.0027 0.0009
H24z2 -0.0008 -0.0008
H24x3 -0.0038 0.0025
H24y3 0.0011 0.0001
H24z3 -0.001 0.001
H24x4 0.0007 0.0002
H24y4 -0.0001 0.0003
H24z4 0.0006 -0.0001

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
Si01U111 Si01 U11 1
Si01U221 Si01 U22 1
Si01U331 Si01 U33 1
Si01U121 Si01 U12 1
Si01U131 Si01 U13 1
Si01U231 Si01 U23 1
Si01U112 Si01 U11 2
Si01U222 Si01 U22 2
Si01U332 Si01 U33 2
Si01U122 Si01 U12 2
Si01U132 Si01 U13 2
Si01U232 Si01 U23 2
C02U111 C02 U11 1
C02U221 C02 U22 1
C02U331 C02 U33 1
C02U121 C02 U12 1
C02U131 C02 U13 1
C02U231 C02 U23 1
C02U112 C02 U11 2
C02U222 C02 U22 2
C02U332 C02 U33 2
C02U122 C02 U12 2
C02U132 C02 U13 2
C02U232 C02 U23 2
C03U111 C03 U11 1
C03U221 C03 U22 1
C03U331 C03 U33 1
C03U121 C03 U12 1
C03U131 C03 U13 1
C03U231 C03 U23 1
C03U112 C03 U11 2
C03U222 C03 U22 2
C03U332 C03 U33 2
C03U122 C03 U12 2
C03U132 C03 U13 2
C03U232 C03 U23 2
C04U111 C04 U11 1
C04U221 C04 U22 1
C04U331 C04 U33 1
C04U121 C04 U12 1
C04U131 C04 U13 1
C04U231 C04 U23 1
C04U112 C04 U11 2
C04U222 C04 U22 2
C04U332 C04 U33 2
C04U122 C04 U12 2
C04U132 C04 U13 2
C04U232 C04 U23 2
C05U111 C05 U11 1
C05U221 C05 U22 1
C05U331 C05 U33 1
C05U121 C05 U12 1
C05U131 C05 U13 1
C05U231 C05 U23 1
C05U112 C05 U11 2
C05U222 C05 U22 2
C05U332 C05 U33 2
C05U122 C05 U12 2
C05U132 C05 U13 2
C05U232 C05 U23 2
C06U111 C06 U11 1
C06U221 C06 U22 1
C06U331 C06 U33 1
C06U121 C06 U12 1
C06U131 C06 U13 1
C06U231 C06 U23 1
C06U112 C06 U11 2
C06U222 C06 U22 2
C06U332 C06 U33 2
C06U122 C06 U12 2
C06U132 C06 U13 2
C06U232 C06 U23 2
C07U111 C07 U11 1
C07U221 C07 U22 1
C07U331 C07 U33 1
C07U121 C07 U12 1
C07U131 C07 U13 1
C07U231 C07 U23 1
C07U112 C07 U11 2
C07U222 C07 U22 2
C07U332 C07 U33 2
C07U122 C07 U12 2
C07U132 C07 U13 2
C07U232 C07 U23 2
O08U111 O08 U11 1
O08U221 O08 U22 1
O08U331 O08 U33 1
O08U121 O08 U12 1
O08U131 O08 U13 1
O08U231 O08 U23 1
O08U112 O08 U11 2
O08U222 O08 U22 2
O08U332 O08 U33 2
O08U122 O08 U12 2
O08U132 O08 U13 2
O08U232 O08 U23 2
C09U111 C09 U11 1
C09U221 C09 U22 1
C09U331 C09 U33 1
C09U121 C09 U12 1
C09U131 C09 U13 1
C09U231 C09 U23 1
C09U112 C09 U11 2
C09U222 C09 U22 2
C09U332 C09 U33 2
C09U122 C09 U12 2
C09U132 C09 U13 2
C09U232 C09 U23 2
C10U111 C10 U11 1
C10U221 C10 U22 1
C10U331 C10 U33 1
C10U121 C10 U12 1
C10U131 C10 U13 1
C10U231 C10 U23 1
C10U112 C10 U11 2
C10U222 C10 U22 2
C10U332 C10 U33 2
C10U122 C10 U12 2
C10U132 C10 U13 2
C10U232 C10 U23 2
N11U111 N11 U11 1
N11U221 N11 U22 1
N11U331 N11 U33 1
N11U121 N11 U12 1
N11U131 N11 U13 1
N11U231 N11 U23 1
N11U112 N11 U11 2
N11U222 N11 U22 2
N11U332 N11 U33 2
N11U122 N11 U12 2
N11U132 N11 U13 2
N11U232 N11 U23 2
C12U111 C12 U11 1
C12U221 C12 U22 1
C12U331 C12 U33 1
C12U121 C12 U12 1
C12U131 C12 U13 1
C12U231 C12 U23 1
C12U112 C12 U11 2
C12U222 C12 U22 2
C12U332 C12 U33 2
C12U122 C12 U12 2
C12U132 C12 U13 2
C12U232 C12 U23 2
C13U111 C13 U11 1
C13U221 C13 U22 1
C13U331 C13 U33 1
C13U121 C13 U12 1
C13U131 C13 U13 1
C13U231 C13 U23 1
C13U112 C13 U11 2
C13U222 C13 U22 2
C13U332 C13 U33 2
C13U122 C13 U12 2
C13U132 C13 U13 2
C13U232 C13 U23 2
C14U111 C14 U11 1
C14U221 C14 U22 1
C14U331 C14 U33 1
C14U121 C14 U12 1
C14U131 C14 U13 1
C14U231 C14 U23 1
C14U112 C14 U11 2
C14U222 C14 U22 2
C14U332 C14 U33 2
C14U122 C14 U12 2
C14U132 C14 U13 2
C14U232 C14 U23 2
C15U111 C15 U11 1
C15U221 C15 U22 1
C15U331 C15 U33 1
C15U121 C15 U12 1
C15U131 C15 U13 1
C15U231 C15 U23 1
C15U112 C15 U11 2
C15U222 C15 U22 2
C15U332 C15 U33 2
C15U122 C15 U12 2
C15U132 C15 U13 2
C15U232 C15 U23 2
C16U111 C16 U11 1
C16U221 C16 U22 1
C16U331 C16 U33 1
C16U121 C16 U12 1
C16U131 C16 U13 1
C16U231 C16 U23 1
C16U112 C16 U11 2
C16U222 C16 U22 2
C16U332 C16 U33 2
C16U122 C16 U12 2
C16U132 C16 U13 2
C16U232 C16 U23 2
O17U111 O17 U11 1
O17U221 O17 U22 1
O17U331 O17 U33 1
O17U121 O17 U12 1
O17U131 O17 U13 1
O17U231 O17 U23 1
O17U112 O17 U11 2
O17U222 O17 U22 2
O17U332 O17 U33 2
O17U122 O17 U12 2
O17U132 O17 U13 2
O17U232 O17 U23 2
O18U111 O18 U11 1
O18U221 O18 U22 1
O18U331 O18 U33 1
O18U121 O18 U12 1
O18U131 O18 U13 1
O18U231 O18 U23 1
O18U112 O18 U11 2
O18U222 O18 U22 2
O18U332 O18 U33 2
O18U122 O18 U12 2
O18U132 O18 U13 2
O18U232 O18 U23 2
C19U111 C19 U11 1
C19U221 C19 U22 1
C19U331 C19 U33 1
C19U121 C19 U12 1
C19U131 C19 U13 1
C19U231 C19 U23 1
C19U112 C19 U11 2
C19U222 C19 U22 2
C19U332 C19 U33 2
C19U122 C19 U12 2
C19U132 C19 U13 2
C19U232 C19 U23 2
C20U111 C20 U11 1
C20U221 C20 U22 1
C20U331 C20 U33 1
C20U121 C20 U12 1
C20U131 C20 U13 1
C20U231 C20 U23 1
C20U112 C20 U11 2
C20U222 C20 U22 2
C20U332 C20 U33 2
C20U122 C20 U12 2
C20U132 C20 U13 2
C20U232 C20 U23 2
C21U111 C21 U11 1
C21U221 C21 U22 1
C21U331 C21 U33 1
C21U121 C21 U12 1
C21U131 C21 U13 1
C21U231 C21 U23 1
C21U112 C21 U11 2
C21U222 C21 U22 2
C21U332 C21 U33 2
C21U122 C21 U12 2
C21U132 C21 U13 2
C21U232 C21 U23 2
C22U111 C22 U11 1
C22U221 C22 U22 1
C22U331 C22 U33 1
C22U121 C22 U12 1
C22U131 C22 U13 1
C22U231 C22 U23 1
C22U112 C22 U11 2
C22U222 C22 U22 2
C22U332 C22 U33 2
C22U122 C22 U12 2
C22U132 C22 U13 2
C22U232 C22 U23 2
C23U111 C23 U11 1
C23U221 C23 U22 1
C23U331 C23 U33 1
C23U121 C23 U12 1
C23U131 C23 U13 1
C23U231 C23 U23 1
C23U112 C23 U11 2
C23U222 C23 U22 2
C23U332 C23 U33 2
C23U122 C23 U12 2
C23U132 C23 U13 2
C23U232 C23 U23 2
C24U111 C24 U11 1
C24U221 C24 U22 1
C24U331 C24 U33 1
C24U121 C24 U12 1
C24U131 C24 U13 1
C24U231 C24 U23 1
C24U112 C24 U11 2
C24U222 C24 U22 2
C24U332 C24 U33 2
C24U122 C24 U12 2
C24U132 C24 U13 2
C24U232 C24 U23 2

ADP Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Si01U111 0.00082(10) -0.00010(10)
Si01U221 0.00080(13) 0.00065(13)
Si01U331 -0.00041(13) 0.00159(12)
Si01U121 -0.00001(10) -0.00081(10)
Si01U131 0.00017(9) 0.00112(9)
Si01U231 0.00023(11) -0.00106(11)
Si01U112 -0.00009(11) -0.00035(11)
Si01U222 -0.00014(15) 0.00049(15)
Si01U332 0.00226(15) 0.00238(14)
Si01U122 -0.00001(11) 0.00020(10)
Si01U132 0.00058(10) 0.00063(10)
Si01U232 -0.00016(13) -0.00087(12)
C02U111 0.0021(5) 0.0012(5)
C02U221 0.0017(6) -0.0014(6)
C02U331 -0.0010(7) 0.0024(6)
C02U121 -0.0007(4) -0.0005(4)
C02U131 0.0019(5) 0.0012(4)
C02U231 -0.0002(5) 0.0000(5)
C02U112 -0.0001(5) -0.0002(5)
C02U222 -0.0007(7) 0.0004(6)
C02U332 0.0021(8) 0.0050(7)
C02U122 0.0005(4) 0.0002(4)
C02U132 0.0010(5) 0.0001(5)
C02U232 0.0011(5) -0.0016(5)
C03U111 -0.0001(5) -0.0035(5)
C03U221 0.0012(6) -0.0001(6)
C03U331 0.0016(7) 0.0011(6)
C03U121 -0.0009(4) 0.0000(4)
C03U131 0.0014(5) -0.0002(4)
C03U231 -0.0001(5) -0.0007(4)
C03U112 0.0006(5) -0.0007(5)
C03U222 0.0000(6) 0.0001(6)
C03U332 0.0019(7) 0.0012(7)
C03U122 0.0007(4) 0.0014(4)
C03U132 0.0007(5) -0.0009(5)
C03U232 -0.0001(5) -0.0001(5)
C04U111 0.0015(5) -0.0038(5)
C04U221 -0.0008(6) 0.0003(6)
C04U331 -0.0009(6) 0.0019(5)
C04U121 -0.0003(4) 0.0011(4)
C04U131 -0.0004(4) -0.0011(4)
C04U231 0.0000(4) 0.0006(4)
C04U112 -0.0022(5) -0.0009(5)
C04U222 0.0008(6) 0.0009(6)
C04U332 0.0032(6) 0.0020(6)
C04U122 0.0011(4) 0.0009(4)
C04U132 -0.0007(4) -0.0003(4)
C04U232 -0.0003(4) 0.0011(4)
C05U111 -0.0004(5) -0.0047(6)
C05U221 -0.0025(8) 0.0009(8)
C05U331 -0.0034(6) -0.0008(5)
C05U121 -0.0014(5) 0.0002(5)
C05U131 -0.0034(5) -0.0041(4)
C05U231 0.0004(5) -0.0017(5)
C05U112 -0.0030(6) 0.0006(6)
C05U222 0.0013(8) 0.0010(8)
C05U332 0.0026(7) 0.0005(6)
C05U122 0.0004(5) -0.0002(5)
C05U132 -0.0010(5) 0.0007(5)
C05U232 -0.0003(6) -0.0003(6)
C06U111 0.0045(6) -0.0064(6)
C06U221 -0.0030(7) -0.0029(8)
C06U331 -0.0020(6) 0.0007(5)
C06U121 -0.0001(5) 0.0057(5)
C06U131 0.0001(5) -0.0014(5)
C06U231 0.0010(5) 0.0019(5)
C06U112 -0.0029(6) -0.0012(6)
C06U222 0.0002(8) 0.0004(8)
C06U332 -0.0003(7) 0.0014(7)
C06U122 0.0010(5) 0.0006(5)
C06U132 -0.0008(5) -0.0008(5)
C06U232 -0.0006(6) -0.0010(5)
C07U111 0.0008(6) -0.0044(7)
C07U221 -0.0016(8) 0.0013(7)
C07U331 0.0030(7) 0.0027(5)
C07U121 0.0031(5) -0.0011(5)
C07U131 -0.0030(5) -0.0022(5)
C07U231 -0.0017(5) 0.0006(5)
C07U112 -0.0047(6) 0.0016(6)
C07U222 -0.0002(8) 0.0002(8)
C07U332 0.0025(7) 0.0033(7)
C07U122 -0.0014(6) 0.0011(5)
C07U132 0.0003(5) -0.0007(5)
C07U232 -0.0004(6) -0.0003(6)
O08U111 0.0002(3) 0.0017(3)
O08U221 0.0016(4) -0.0029(4)
O08U331 0.0003(4) -0.0010(3)
O08U121 0.0008(3) -0.0016(3)
O08U131 0.0000(3) 0.0003(3)
O08U231 0.0005(3) -0.0020(3)
O08U112 0.0007(3) 0.0001(3)
O08U222 -0.0004(4) 0.0004(4)
O08U332 0.0007(4) 0.0017(4)
O08U122 0.0001(3) 0.0001(3)
O08U132 -0.0003(3) -0.0002(3)
O08U232 -0.0009(3) -0.0011(3)
C09U111 0.0001(4) 0.0034(5)
C09U221 0.0018(6) 0.0013(6)
C09U331 -0.0008(5) -0.0003(5)
C09U121 0.0007(4) -0.0031(4)
C09U131 -0.0008(4) -0.0001(4)
C09U231 0.0010(4) -0.0006(4)
C09U112 0.0003(5) 0.0000(5)
C09U222 -0.0010(6) 0.0009(6)
C09U332 0.0008(6) 0.0033(6)
C09U122 0.0015(4) -0.0004(4)
C09U132 0.0004(4) 0.0012(4)
C09U232 0.0006(4) 0.0003(5)
C10U111 -0.0033(5) 0.0095(5)
C10U221 0.0005(5) -0.0011(5)
C10U331 0.0010(5) 0.0001(5)
C10U121 0.0009(4) -0.0020(4)
C10U131 -0.0005(4) -0.0005(4)
C10U231 0.0001(4) -0.0004(4)
C10U112 -0.0008(5) 0.0020(6)
C10U222 0.0000(6) 0.0008(6)
C10U332 -0.0015(6) 0.0014(6)
C10U122 0.0013(4) -0.0006(4)
C10U132 0.0013(4) 0.0003(4)
C10U232 0.0000(4) -0.0008(4)
N11U111 -0.0036(4) 0.0059(4)
N11U221 0.0006(4) 0.0002(4)
N11U331 0.0002(4) -0.0011(4)
N11U121 0.0001(3) -0.0005(3)
N11U131 -0.0009(3) 0.0005(3)
N11U231 -0.0001(3) 0.0001(3)
N11U112 -0.0009(4) -0.0007(4)
N11U222 -0.0003(4) 0.0003(4)
N11U332 0.0005(4) 0.0031(4)
N11U122 -0.0002(3) 0.0001(3)
N11U132 0.0005(3) 0.0011(3)
N11U232 0.0002(3) 0.0002(3)
C12U111 -0.0022(4) 0.0058(4)
C12U221 -0.0011(5) -0.0006(5)
C12U331 0.0005(4) -0.0015(4)
C12U121 0.0002(4) 0.0000(4)
C12U131 -0.0013(3) 0.0016(3)
C12U231 0.0001(3) 0.0008(4)
C12U112 -0.0021(5) 0.0004(5)
C12U222 0.0017(5) 0.0001(6)
C12U332 -0.0010(4) 0.0011(5)
C12U122 -0.0001(4) -0.0007(4)
C12U132 -0.0001(4) 0.0008(4)
C12U232 0.0000(4) -0.0002(4)
C13U111 -0.0007(5) 0.0005(5)
C13U221 0.0003(5) 0.0011(5)
C13U331 -0.0012(4) 0.0001(4)
C13U121 0.0003(4) 0.0002(4)
C13U131 -0.0009(3) 0.0011(4)
C13U231 -0.0009(3) 0.0011(4)
C13U112 -0.0008(6) 0.0003(5)
C13U222 -0.0009(5) 0.0004(5)
C13U332 -0.0003(5) 0.0017(5)
C13U122 0.0005(4) -0.0012(4)
C13U132 0.0000(4) 0.0008(4)
C13U232 0.0003(4) 0.0003(4)
C14U111 -0.0020(5) 0.0004(5)
C14U221 0.0001(5) 0.0003(5)
C14U331 -0.0017(4) -0.0002(4)
C14U121 0.0003(4) 0.0001(4)
C14U131 -0.0017(3) 0.0008(4)
C14U231 0.0002(3) 0.0003(4)
C14U112 -0.0020(6) 0.0016(5)
C14U222 0.0000(5) -0.0002(5)
C14U332 -0.0007(4) 0.0013(5)
C14U122 0.0003(4) 0.0007(4)
C14U132 0.0006(4) 0.0004(4)
C14U232 -0.0006(4) 0.0010(4)
C15U111 -0.0003(5) 0.0024(4)
C15U221 -0.0003(5) -0.0007(5)
C15U331 0.0001(4) -0.0003(4)
C15U121 0.0005(4) -0.0005(4)
C15U131 -0.0009(3) 0.0006(3)
C15U231 0.0002(3) -0.0007(4)
C15U112 0.0005(5) 0.0002(5)
C15U222 0.0002(5) 0.0001(5)
C15U332 -0.0004(5) 0.0021(5)
C15U122 -0.0002(4) 0.0001(4)
C15U132 -0.0003(4) 0.0011(4)
C15U232 -0.0003(4) -0.0002(4)
C16U111 -0.0007(5) 0.0024(5)
C16U221 0.0008(5) 0.0018(5)
C16U331 -0.0005(5) -0.0002(5)
C16U121 0.0011(4) -0.0025(4)
C16U131 -0.0002(4) 0.0006(4)
C16U231 0.0003(4) 0.0003(4)
C16U112 -0.0003(5) 0.0004(5)
C16U222 0.0000(6) 0.0000(6)
C16U332 0.0001(5) 0.0031(6)
C16U122 -0.0009(4) 0.0001(4)
C16U132 0.0004(4) 0.0016(4)
C16U232 -0.0013(4) 0.0009(4)
O17U111 -0.0022(4) -0.0028(4)
O17U221 0.0002(3) 0.0005(4)
O17U331 0.0002(3) -0.0005(3)
O17U121 -0.0004(3) -0.0008(3)
O17U131 -0.0008(3) 0.0021(3)
O17U231 0.0014(3) 0.0001(3)
O17U112 -0.0044(4) 0.0036(4)
O17U222 0.0002(4) 0.0011(4)
O17U332 -0.0016(3) 0.0005(3)
O17U122 0.0001(3) -0.0017(3)
O17U132 0.0011(3) -0.0006(3)
O17U232 -0.0004(3) 0.0007(3)
O18U111 -0.0045(4) 0.0091(4)
O18U221 -0.0003(4) -0.0007(4)
O18U331 0.0034(3) -0.0023(3)
O18U121 0.0005(3) -0.0003(3)
O18U131 -0.0029(3) 0.0019(3)
O18U231 0.0009(3) -0.0001(3)
O18U112 -0.0022(4) -0.0006(4)
O18U222 0.0001(4) -0.0008(4)
O18U332 -0.0006(4) 0.0018(4)
O18U122 -0.0002(3) -0.0003(3)
O18U132 -0.0003(3) 0.0009(3)
O18U232 -0.0003(3) -0.0006(3)
C19U111 -0.0011(5) -0.0001(5)
C19U221 -0.0018(5) 0.0002(5)
C19U331 -0.0004(4) 0.0011(4)
C19U121 0.0000(4) -0.0001(4)
C19U131 -0.0018(3) 0.0014(4)
C19U231 0.0000(3) 0.0017(3)
C19U112 -0.0016(6) 0.0011(6)
C19U222 -0.0006(5) 0.0016(5)
C19U332 -0.0018(5) 0.0006(5)
C19U122 -0.0004(4) -0.0007(4)
C19U132 -0.0006(4) 0.0003(4)
C19U232 -0.0003(4) 0.0002(4)
C20U111 -0.0049(6) 0.0014(5)
C20U221 -0.0011(5) 0.0002(5)
C20U331 -0.0033(5) 0.0024(5)
C20U121 -0.0017(4) -0.0012(4)
C20U131 -0.0003(4) -0.0011(4)
C20U231 -0.0008(4) 0.0020(4)
C20U112 -0.0013(7) 0.0000(7)
C20U222 -0.0015(6) 0.0009(6)
C20U332 -0.0020(5) -0.0005(5)
C20U122 0.0017(5) -0.0006(5)
C20U132 0.0001(4) 0.0000(4)
C20U232 -0.0006(4) -0.0003(4)
C21U111 -0.0050(7) -0.0006(6)
C21U221 -0.0044(6) 0.0012(6)
C21U331 -0.0048(5) 0.0053(5)
C21U121 -0.0007(5) -0.0031(5)
C21U131 0.0021(4) -0.0031(4)
C21U231 -0.0008(4) 0.0048(4)
C21U112 -0.0032(8) 0.0009(7)
C21U222 -0.0027(6) 0.0002(6)
C21U332 -0.0002(5) -0.0023(5)
C21U122 0.0008(5) 0.0006(5)
C21U132 -0.0016(5) -0.0001(5)
C21U232 -0.0010(4) -0.0022(4)
C22U111 -0.0022(7) -0.0023(5)
C22U221 -0.0091(7) 0.0041(6)
C22U331 -0.0061(5) 0.0079(5)
C22U121 0.0018(5) -0.0009(5)
C22U131 0.0003(4) 0.0000(4)
C22U231 -0.0065(5) 0.0050(5)
C22U112 -0.0029(7) 0.0013(6)
C22U222 -0.0017(7) -0.0022(7)
C22U332 -0.0037(5) -0.0030(5)
C22U122 -0.0001(6) 0.0008(5)
C22U132 0.0007(5) -0.0006(4)
C22U232 -0.0001(5) -0.0028(5)
C23U111 -0.0023(6) 0.0007(5)
C23U221 -0.0056(6) 0.0010(6)
C23U331 -0.0063(5) 0.0062(5)
C23U121 -0.0019(4) 0.0016(4)
C23U131 -0.0049(4) 0.0022(4)
C23U231 -0.0050(4) 0.0041(4)
C23U112 -0.0021(7) 0.0013(6)
C23U222 -0.0006(6) -0.0019(6)
C23U332 -0.0037(6) -0.0022(6)
C23U122 -0.0005(5) -0.0009(5)
C23U132 -0.0004(5) -0.0019(5)
C23U232 0.0004(4) -0.0028(5)
C24U111 -0.0046(5) 0.0016(5)
C24U221 -0.0014(5) 0.0014(5)
C24U331 -0.0012(4) 0.0038(5)
C24U121 -0.0020(4) 0.0011(4)
C24U131 -0.0029(4) 0.0039(4)
C24U231 -0.0019(3) 0.0032(4)
C24U112 -0.0001(6) -0.0015(6)
C24U222 -0.0004(6) -0.0004(5)
C24U332 -0.0033(5) 0.0003(5)
C24U122 0.0006(4) -0.0015(4)
C24U132 -0.0006(4) -0.0001(4)
C24U232 0.0000(4) -0.0008(4)