Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806007446/wm2003sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806007446/wm2003Isup2.hkl |
Data collection: COLLECT (Nonius, 1998); cell refinement: COLLECT; data reduction: EVALCCD (Duisenberg, 1998); program(s) used to solve structure: SIR97 (Altomare et al., 1999; program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97.
Ho0.76In1.68Mo15Se19 | Dx = 6.713 Mg m−3 |
Mr = 3258.98 | Mo Kα radiation, λ = 0.71069 Å |
Hexagonal, P63/m | Cell parameters from 31521 reflections |
Hall symbol: -P 6c | θ = 2.0–35.0° |
a = 9.7969 (1) Å | µ = 30.08 mm−1 |
c = 19.3973 (4) Å | T = 293 K |
V = 1612.31 (4) Å3 | Irregular block, black |
Z = 2 | 0.08 × 0.05 × 0.03 mm |
F(000) = 2820 |
Nonius Kappa CCD diffractometer | 2436 independent reflections |
Radiation source: fine-focus sealed tube | 1625 reflections with I > 2σ(I) |
Horizontally mounted graphite crystal monochromator | Rint = 0.092 |
Detector resolution: 9 pixels mm-1 | θmax = 35.1°, θmin = 3.2° |
φ and ω scans | h = −11→15 |
Absorption correction: analytical (de Meulenaar & Tompa, 1965) | k = −15→15 |
Tmin = 0.094, Tmax = 0.345 | l = −31→31 |
28264 measured reflections |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Primary atom site location: structure-invariant direct methods |
R[F2 > 2σ(F2)] = 0.040 | Secondary atom site location: difference Fourier map |
wR(F2) = 0.088 | w = 1/[σ2(Fo2) + (0.0398P)2 + 0.2653P] where P = (Fo2 + 2Fc2)/3 |
S = 1.07 | (Δ/σ)max = 0.001 |
2436 reflections | Δρmax = 2.64 e Å−3 |
66 parameters | Δρmin = −2.69 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Mo1 | 0.16651 (5) | 0.01597 (5) | 0.55715 (2) | 0.00634 (10) | |
Mo2 | 0.68338 (5) | 0.18637 (5) | 0.63335 (2) | 0.00570 (10) | |
Mo3 | 0.51229 (7) | 0.16779 (7) | 0.7500 | 0.00581 (12) | |
Se1 | 0.03516 (6) | −0.28658 (6) | 0.55165 (3) | 0.00840 (11) | |
Se2 | 0.38029 (6) | 0.00931 (6) | 0.63934 (3) | 0.00904 (12) | |
Se3 | 0.35216 (8) | 0.31290 (9) | 0.7500 | 0.00907 (15) | |
Se4 | 0.0000 | 0.0000 | 0.66099 (5) | 0.0201 (2) | |
Se5 | 0.6667 | 0.3333 | 0.52947 (5) | 0.00926 (18) | |
In | 0.6667 | 0.3333 | 0.37147 (6) | 0.0356 (4) | 0.842 (3) |
Ho | −0.20999 (18) | −0.17299 (16) | 0.7500 | 0.0135 (4) | 0.2553 (16) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Mo1 | 0.0079 (2) | 0.00649 (19) | 0.0046 (2) | 0.00365 (16) | 0.00012 (15) | 0.00014 (14) |
Mo2 | 0.00623 (19) | 0.00645 (19) | 0.00453 (19) | 0.00325 (16) | −0.00007 (15) | −0.00021 (14) |
Mo3 | 0.0071 (3) | 0.0067 (3) | 0.0044 (2) | 0.0040 (2) | 0.000 | 0.000 |
Se1 | 0.0092 (2) | 0.0081 (2) | 0.0082 (2) | 0.0046 (2) | 0.00081 (18) | 0.00175 (18) |
Se2 | 0.0073 (2) | 0.0080 (2) | 0.0107 (3) | 0.00297 (19) | −0.00287 (18) | −0.00156 (18) |
Se3 | 0.0070 (3) | 0.0119 (4) | 0.0094 (3) | 0.0055 (3) | 0.000 | 0.000 |
Se4 | 0.0280 (4) | 0.0280 (4) | 0.0043 (4) | 0.01399 (18) | 0.000 | 0.000 |
Se5 | 0.0115 (3) | 0.0115 (3) | 0.0047 (4) | 0.00577 (13) | 0.000 | 0.000 |
In | 0.0373 (5) | 0.0373 (5) | 0.0324 (7) | 0.0186 (2) | 0.000 | 0.000 |
Ho | 0.0151 (8) | 0.0096 (7) | 0.0147 (7) | 0.0053 (6) | 0.000 | 0.000 |
Mo1—Se4 | 2.5469 (9) | Se3—Mo2x | 2.6928 (6) |
Mo1—Se1i | 2.5526 (7) | Se3—Mo2v | 2.6928 (6) |
Mo1—Se1 | 2.5765 (7) | Se3—Hoiii | 2.7270 (16) |
Mo1—Se1ii | 2.6163 (6) | Se3—Hoii | 2.9690 (16) |
Mo1—Se2 | 2.6587 (7) | Se3—Inxii | 4.2704 (9) |
Mo1—Mo1iii | 2.7001 (7) | Se3—Inxiii | 4.2704 (9) |
Mo1—Mo1ii | 2.7001 (7) | Se4—Mo1iii | 2.5469 (9) |
Mo1—Mo1iv | 2.7104 (8) | Se4—Mo1ii | 2.5469 (9) |
Mo1—Mo1i | 2.7104 (8) | Se4—Hoiii | 2.5689 (13) |
Mo1—Mo2v | 3.4666 (6) | Se4—Hoii | 2.5689 (13) |
Mo1—Invi | 4.6789 (5) | Se4—Ho | 2.5689 (13) |
Mo2—Se5 | 2.5290 (8) | Se5—Mo2vii | 2.5290 (8) |
Mo2—Se2 | 2.5862 (6) | Se5—Mo2v | 2.5290 (8) |
Mo2—Se2vii | 2.6275 (7) | In—Se5 | 3.0647 (15) |
Mo2—Mo2vii | 2.6470 (7) | In—Se2vi | 3.1591 (5) |
Mo2—Mo2v | 2.6470 (7) | In—Se2xiv | 3.1591 (5) |
Mo2—Se1viii | 2.6675 (7) | In—Se2i | 3.1591 (5) |
Mo2—Se3vii | 2.6928 (6) | In—Se1vi | 3.5079 (7) |
Mo2—Mo3vii | 2.7179 (5) | In—Se1i | 3.5079 (7) |
Mo2—Mo3 | 2.7673 (5) | In—Se1xiv | 3.5079 (7) |
Mo2—Invi | 4.4980 (4) | In—Se3iv | 4.2704 (9) |
Mo3—Se3vii | 2.5836 (9) | In—Se3xv | 4.2704 (9) |
Mo3—Se2 | 2.5851 (6) | In—Se3xiii | 4.2704 (9) |
Mo3—Se2ix | 2.5851 (6) | In—Mo2xiv | 4.4980 (4) |
Mo3—Se3 | 2.5908 (9) | In—Mo2vi | 4.4980 (4) |
Mo3—Mo2x | 2.7179 (5) | In—Mo2i | 4.4980 (4) |
Mo3—Mo2v | 2.7179 (5) | In—Hoxvi | 4.5834 (15) |
Mo3—Mo3v | 2.7193 (10) | In—Hoxvii | 4.5834 (15) |
Mo3—Mo3vii | 2.7193 (10) | In—Hoxviii | 4.5834 (15) |
Mo3—Mo2ix | 2.7673 (5) | Ho—Se4ix | 2.5689 (13) |
Mo3—Hoii | 2.8993 (15) | Ho—Se3ii | 2.7270 (16) |
Se1—Mo1iv | 2.5526 (7) | Ho—Se2iii | 2.8314 (11) |
Se1—Mo1iii | 2.6163 (6) | Ho—Se2xix | 2.8314 (11) |
Se1—Mo2xi | 2.6675 (7) | Ho—Mo3iii | 2.8993 (15) |
Se1—Invi | 3.5079 (7) | Ho—Se3iii | 2.9690 (16) |
Se2—Mo2v | 2.6275 (6) | Ho—Hoiii | 3.295 (3) |
Se2—Hoii | 2.8314 (11) | Ho—Hoii | 3.295 (3) |
Se2—Invi | 3.1591 (5) | Ho—Inxvii | 4.5834 (15) |
Se3—Mo3v | 2.5836 (9) | Ho—Inxx | 4.5834 (15) |
Se4—Mo1—Se1i | 176.38 (3) | Inxii—Se3—Inxiii | 66.97 (3) |
Se4—Mo1—Se1 | 91.489 (17) | Mo1iii—Se4—Mo1ii | 64.02 (3) |
Se1i—Mo1—Se1 | 89.250 (17) | Mo1iii—Se4—Mo1 | 64.02 (3) |
Se4—Mo1—Se1ii | 90.580 (17) | Mo1ii—Se4—Mo1 | 64.02 (3) |
Se1i—Mo1—Se1ii | 88.377 (17) | Mo1iii—Se4—Hoiii | 148.11 (3) |
Se1—Mo1—Se1ii | 174.56 (3) | Mo1ii—Se4—Hoiii | 95.32 (2) |
Se4—Mo1—Se2 | 90.72 (2) | Mo1—Se4—Hoiii | 130.75 (3) |
Se1i—Mo1—Se2 | 92.86 (2) | Mo1iii—Se4—Hoii | 130.75 (3) |
Se1—Mo1—Se2 | 86.74 (2) | Mo1ii—Se4—Hoii | 148.11 (3) |
Se1ii—Mo1—Se2 | 98.27 (2) | Mo1—Se4—Hoii | 95.32 (2) |
Se4—Mo1—Mo1iii | 57.990 (13) | Hoiii—Se4—Hoii | 79.77 (4) |
Se1i—Mo1—Mo1iii | 119.638 (17) | Mo1iii—Se4—Ho | 95.32 (2) |
Se1—Mo1—Mo1iii | 59.39 (2) | Mo1ii—Se4—Ho | 130.75 (3) |
Se1ii—Mo1—Mo1iii | 117.90 (2) | Mo1—Se4—Ho | 148.11 (3) |
Se2—Mo1—Mo1iii | 130.04 (2) | Hoiii—Se4—Ho | 79.77 (4) |
Se4—Mo1—Mo1ii | 57.990 (13) | Hoii—Se4—Ho | 79.77 (4) |
Se1i—Mo1—Mo1ii | 118.656 (17) | Mo2vii—Se5—Mo2 | 63.11 (2) |
Se1—Mo1—Mo1ii | 119.34 (2) | Mo2vii—Se5—Mo2v | 63.11 (2) |
Se1ii—Mo1—Mo1ii | 57.95 (2) | Mo2—Se5—Mo2v | 63.11 (2) |
Se2—Mo1—Mo1ii | 137.221 (19) | Mo2vii—Se5—In | 142.822 (15) |
Mo1iii—Mo1—Mo1ii | 60.0 | Mo2—Se5—In | 142.822 (15) |
Se4—Mo1—Mo1iv | 118.092 (16) | Mo2v—Se5—In | 142.822 (15) |
Se1i—Mo1—Mo1iv | 59.53 (2) | Se5—In—Se2vi | 93.80 (2) |
Se1—Mo1—Mo1iv | 57.673 (15) | Se5—In—Se2xiv | 93.80 (2) |
Se1ii—Mo1—Mo1iv | 116.97 (2) | Se2vi—In—Se2xiv | 119.564 (5) |
Se2—Mo1—Mo1iv | 132.37 (2) | Se5—In—Se2i | 93.80 (2) |
Mo1iii—Mo1—Mo1iv | 60.125 (11) | Se2vi—In—Se2i | 119.564 (5) |
Mo1ii—Mo1—Mo1iv | 90.0 | Se2xiv—In—Se2i | 119.564 (5) |
Se4—Mo1—Mo1i | 118.092 (16) | Se5—In—Se1vi | 64.840 (19) |
Se1i—Mo1—Mo1i | 58.53 (2) | Se2vi—In—Se1vi | 65.026 (13) |
Se1—Mo1—Mo1i | 117.42 (2) | Se2xiv—In—Se1vi | 64.880 (14) |
Se1ii—Mo1—Mo1i | 57.236 (15) | Se2i—In—Se1vi | 158.64 (4) |
Se2—Mo1—Mo1i | 139.85 (2) | Se5—In—Se1i | 64.840 (19) |
Mo1iii—Mo1—Mo1i | 90.0 | Se2vi—In—Se1i | 64.880 (14) |
Mo1ii—Mo1—Mo1i | 60.125 (11) | Se2xiv—In—Se1i | 158.64 (4) |
Mo1iv—Mo1—Mo1i | 59.75 (2) | Se2i—In—Se1i | 65.026 (13) |
Se4—Mo1—Invi | 99.688 (19) | Se1vi—In—Se1i | 103.23 (2) |
Se1i—Mo1—Invi | 83.419 (19) | Se5—In—Se1xiv | 64.840 (19) |
Se1—Mo1—Invi | 47.705 (14) | Se2vi—In—Se1xiv | 158.64 (4) |
Se1ii—Mo1—Invi | 136.719 (18) | Se2xiv—In—Se1xiv | 65.026 (13) |
Se2—Mo1—Invi | 40.278 (15) | Se2i—In—Se1xiv | 64.880 (14) |
Mo1iii—Mo1—Invi | 102.863 (18) | Se1vi—In—Se1xiv | 103.23 (2) |
Mo1ii—Mo1—Invi | 156.315 (16) | Se1i—In—Se1xiv | 103.23 (2) |
Mo1iv—Mo1—Invi | 94.923 (17) | Se5—In—Se3iv | 123.487 (14) |
Mo1i—Mo1—Invi | 140.93 (2) | Se2vi—In—Se3iv | 55.274 (16) |
Se5—Mo2—Se2 | 92.189 (17) | Se2xiv—In—Se3iv | 141.57 (4) |
Se5—Mo2—Se2vii | 91.227 (17) | Se2i—In—Se3iv | 71.125 (17) |
Se2—Mo2—Se2vii | 174.78 (3) | Se1vi—In—Se3iv | 119.728 (14) |
Se5—Mo2—Mo2vii | 58.444 (12) | Se1i—In—Se3iv | 59.375 (11) |
Se2—Mo2—Mo2vii | 120.20 (2) | Se1xiv—In—Se3iv | 135.828 (14) |
Se2vii—Mo2—Mo2vii | 58.72 (2) | Se5—In—Se3xv | 123.487 (14) |
Se5—Mo2—Mo2v | 58.444 (12) | Se2vi—In—Se3xv | 71.125 (17) |
Se2—Mo2—Mo2v | 60.26 (2) | Se2xiv—In—Se3xv | 55.274 (16) |
Se2vii—Mo2—Mo2v | 118.66 (2) | Se2i—In—Se3xv | 141.57 (4) |
Mo2vii—Mo2—Mo2v | 60.0 | Se1vi—In—Se3xv | 59.375 (11) |
Se5—Mo2—Se1viii | 90.55 (2) | Se1i—In—Se3xv | 135.828 (14) |
Se2—Mo2—Se1viii | 86.15 (2) | Se1xiv—In—Se3xv | 119.728 (14) |
Se2vii—Mo2—Se1viii | 97.77 (2) | Se3iv—In—Se3xv | 92.49 (2) |
Mo2vii—Mo2—Se1viii | 137.526 (19) | Se5—In—Se3xiii | 123.487 (14) |
Mo2v—Mo2—Se1viii | 130.30 (2) | Se2vi—In—Se3xiii | 141.57 (4) |
Se5—Mo2—Se3vii | 175.06 (3) | Se2xiv—In—Se3xiii | 71.125 (17) |
Se2—Mo2—Se3vii | 85.50 (2) | Se2i—In—Se3xiii | 55.274 (15) |
Se2vii—Mo2—Se3vii | 90.79 (2) | Se1vi—In—Se3xiii | 135.829 (14) |
Mo2vii—Mo2—Se3vii | 119.183 (18) | Se1i—In—Se3xiii | 119.727 (14) |
Mo2v—Mo2—Se3vii | 116.678 (19) | Se1xiv—In—Se3xiii | 59.375 (11) |
Se1viii—Mo2—Se3vii | 93.64 (2) | Se3iv—In—Se3xiii | 92.49 (2) |
Se5—Mo2—Mo3vii | 120.52 (2) | Se3xv—In—Se3xiii | 92.49 (2) |
Se2—Mo2—Mo3vii | 116.98 (2) | Se5—In—Mo2xiv | 91.190 (16) |
Se2vii—Mo2—Mo3vii | 57.814 (17) | Se2vi—In—Mo2xiv | 85.861 (11) |
Mo2vii—Mo2—Mo3vii | 62.086 (16) | Se2xiv—In—Mo2xiv | 34.134 (11) |
Mo2v—Mo2—Mo3vii | 91.285 (15) | Se2i—In—Mo2xiv | 153.608 (13) |
Se1viii—Mo2—Mo3vii | 138.15 (2) | Se1vi—In—Mo2xiv | 36.333 (10) |
Se3vii—Mo2—Mo3vii | 57.21 (2) | Se1i—In—Mo2xiv | 139.26 (2) |
Se5—Mo2—Mo3 | 118.65 (2) | Se1xiv—In—Mo2xiv | 94.266 (12) |
Se2—Mo2—Mo3 | 57.630 (18) | Se3iv—In—Mo2xiv | 126.11 (2) |
Se2vii—Mo2—Mo3 | 117.19 (2) | Se3xv—In—Mo2xiv | 35.650 (9) |
Mo2vii—Mo2—Mo3 | 90.204 (15) | Se3xiii—In—Mo2xiv | 100.888 (15) |
Mo2v—Mo2—Mo3 | 60.216 (15) | Se5—In—Mo2vi | 91.190 (16) |
Se1viii—Mo2—Mo3 | 131.91 (2) | Se2vi—In—Mo2vi | 34.134 (11) |
Se3vii—Mo2—Mo3 | 56.463 (19) | Se2xiv—In—Mo2vi | 153.608 (13) |
Mo3vii—Mo2—Mo3 | 59.43 (2) | Se2i—In—Mo2vi | 85.861 (11) |
Se5—Mo2—Invi | 113.462 (19) | Se1vi—In—Mo2vi | 94.266 (12) |
Se2—Mo2—Invi | 43.269 (13) | Se1i—In—Mo2vi | 36.333 (10) |
Se2vii—Mo2—Invi | 137.970 (17) | Se1xiv—In—Mo2vi | 139.26 (2) |
Mo2vii—Mo2—Invi | 163.303 (19) | Se3iv—In—Mo2vi | 35.649 (9) |
Mo2v—Mo2—Invi | 103.341 (19) | Se3xv—In—Mo2vi | 100.888 (15) |
Se1viii—Mo2—Invi | 51.183 (17) | Se3xiii—In—Mo2vi | 126.11 (2) |
Se3vii—Mo2—Invi | 67.56 (2) | Mo2xiv—In—Mo2vi | 119.957 (1) |
Mo3vii—Mo2—Invi | 123.41 (2) | Se5—In—Mo2i | 91.190 (16) |
Mo3—Mo2—Invi | 81.293 (19) | Se2vi—In—Mo2i | 153.608 (13) |
Se3vii—Mo3—Se2 | 87.80 (2) | Se2xiv—In—Mo2i | 85.861 (11) |
Se3vii—Mo3—Se2ix | 87.80 (2) | Se2i—In—Mo2i | 34.134 (11) |
Se2—Mo3—Se2ix | 112.27 (3) | Se1vi—In—Mo2i | 139.26 (2) |
Se3vii—Mo3—Se3 | 176.59 (3) | Se1i—In—Mo2i | 94.266 (12) |
Se2—Mo3—Se3 | 94.09 (2) | Se1xiv—In—Mo2i | 36.333 (10) |
Se2ix—Mo3—Se3 | 94.09 (2) | Se3iv—In—Mo2i | 100.888 (15) |
Se3vii—Mo3—Mo2x | 118.011 (16) | Se3xv—In—Mo2i | 126.11 (2) |
Se2—Mo3—Mo2x | 150.76 (3) | Se3xiii—In—Mo2i | 35.650 (9) |
Se2ix—Mo3—Mo2x | 59.337 (15) | Mo2xiv—In—Mo2i | 119.957 (1) |
Se3—Mo3—Mo2x | 60.904 (15) | Mo2vi—In—Mo2i | 119.957 (1) |
Se3vii—Mo3—Mo2v | 118.011 (16) | Se5—In—Hoxvi | 120.935 (16) |
Se2—Mo3—Mo2v | 59.337 (15) | Se2vi—In—Hoxvi | 37.513 (19) |
Se2ix—Mo3—Mo2v | 150.76 (3) | Se2xiv—In—Hoxvi | 90.18 (2) |
Se3—Mo3—Mo2v | 60.904 (15) | Se2i—In—Hoxvi | 133.45 (3) |
Mo2x—Mo3—Mo2v | 112.72 (3) | Se1vi—In—Hoxvi | 64.173 (16) |
Se3vii—Mo3—Mo3v | 118.43 (3) | Se1i—In—Hoxvi | 100.582 (19) |
Se2—Mo3—Mo3v | 120.47 (2) | Se1xiv—In—Hoxvi | 155.19 (2) |
Se2ix—Mo3—Mo3v | 120.47 (2) | Se3iv—In—Hoxvi | 64.13 (2) |
Se3—Mo3—Mo3v | 58.17 (3) | Se3xv—In—Hoxvi | 35.66 (2) |
Mo2x—Mo3—Mo3v | 61.188 (17) | Se3xiii—In—Hoxvi | 113.45 (3) |
Mo2v—Mo3—Mo3v | 61.188 (17) | Mo2xiv—In—Hoxvi | 62.630 (18) |
Se3vii—Mo3—Mo3vii | 58.43 (3) | Mo2vi—In—Hoxvi | 65.238 (19) |
Se2—Mo3—Mo3vii | 116.97 (2) | Mo2i—In—Hoxvi | 147.84 (3) |
Se2ix—Mo3—Mo3vii | 116.97 (2) | Se5—In—Hoxvii | 120.935 (16) |
Se3—Mo3—Mo3vii | 118.17 (3) | Se2vi—In—Hoxvii | 90.18 (2) |
Mo2x—Mo3—Mo3vii | 89.748 (15) | Se2xiv—In—Hoxvii | 133.45 (3) |
Mo2v—Mo3—Mo3vii | 89.748 (15) | Se2i—In—Hoxvii | 37.513 (19) |
Mo3v—Mo3—Mo3vii | 60.0 | Se1vi—In—Hoxvii | 155.19 (2) |
Se3vii—Mo3—Mo2ix | 60.314 (14) | Se1i—In—Hoxvii | 64.172 (16) |
Se2—Mo3—Mo2ix | 145.40 (3) | Se1xiv—In—Hoxvii | 100.582 (19) |
Se2ix—Mo3—Mo2ix | 57.667 (15) | Se3iv—In—Hoxvii | 35.66 (2) |
Se3—Mo3—Mo2ix | 118.486 (16) | Se3xv—In—Hoxvii | 113.45 (3) |
Mo2x—Mo3—Mo2ix | 57.698 (17) | Se3xiii—In—Hoxvii | 64.13 (2) |
Mo2v—Mo3—Mo2ix | 145.81 (3) | Mo2xiv—In—Hoxvii | 147.84 (3) |
Mo3v—Mo3—Mo2ix | 88.722 (14) | Mo2vi—In—Hoxvii | 62.630 (18) |
Mo3vii—Mo3—Mo2ix | 59.383 (16) | Mo2i—In—Hoxvii | 65.238 (18) |
Se3vii—Mo3—Mo2 | 60.314 (14) | Hoxvi—In—Hoxvii | 95.95 (2) |
Se2—Mo3—Mo2 | 57.667 (15) | Se5—In—Hoxviii | 120.935 (16) |
Se2ix—Mo3—Mo2 | 145.40 (3) | Se2vi—In—Hoxviii | 133.45 (3) |
Se3—Mo3—Mo2 | 118.486 (16) | Se2xiv—In—Hoxviii | 37.513 (19) |
Mo2x—Mo3—Mo2 | 145.81 (3) | Se2i—In—Hoxviii | 90.18 (2) |
Mo2v—Mo3—Mo2 | 57.698 (17) | Se1vi—In—Hoxviii | 100.582 (19) |
Mo3v—Mo3—Mo2 | 88.722 (14) | Se1i—In—Hoxviii | 155.19 (2) |
Mo3vii—Mo3—Mo2 | 59.383 (16) | Se1xiv—In—Hoxviii | 64.173 (16) |
Mo2ix—Mo3—Mo2 | 109.71 (3) | Se3iv—In—Hoxviii | 113.45 (3) |
Se3vii—Mo3—Hoii | 118.21 (4) | Se3xv—In—Hoxviii | 64.13 (2) |
Se2—Mo3—Hoii | 61.851 (19) | Se3xiii—In—Hoxviii | 35.66 (2) |
Se2ix—Mo3—Hoii | 61.851 (19) | Mo2xiv—In—Hoxviii | 65.238 (19) |
Se3—Mo3—Hoii | 65.19 (4) | Mo2vi—In—Hoxviii | 147.84 (3) |
Mo2x—Mo3—Hoii | 92.11 (2) | Mo2i—In—Hoxviii | 62.630 (18) |
Mo2v—Mo3—Hoii | 92.11 (2) | Hoxvi—In—Hoxviii | 95.95 (2) |
Mo3v—Mo3—Hoii | 123.36 (4) | Hoxvii—In—Hoxviii | 95.95 (2) |
Mo3vii—Mo3—Hoii | 176.64 (4) | Se4ix—Ho—Se4 | 84.46 (5) |
Mo2ix—Mo3—Hoii | 119.517 (18) | Se4ix—Ho—Se3ii | 88.65 (4) |
Mo2—Mo3—Hoii | 119.517 (18) | Se4—Ho—Se3ii | 88.65 (4) |
Mo1iv—Se1—Mo1 | 63.80 (2) | Se4ix—Ho—Se2iii | 163.32 (6) |
Mo1iv—Se1—Mo1iii | 63.24 (2) | Se4—Ho—Se2iii | 86.49 (2) |
Mo1—Se1—Mo1iii | 62.66 (2) | Se3ii—Ho—Se2iii | 105.14 (4) |
Mo1iv—Se1—Mo2xi | 131.54 (2) | Se4ix—Ho—Se2xix | 86.49 (2) |
Mo1—Se1—Mo2xi | 129.02 (2) | Se4—Ho—Se2xix | 163.32 (6) |
Mo1iii—Se1—Mo2xi | 82.00 (2) | Se3ii—Ho—Se2xix | 105.14 (4) |
Mo1iv—Se1—Invi | 134.69 (2) | Se2iii—Ho—Se2xix | 98.60 (5) |
Mo1—Se1—Invi | 99.386 (18) | Se4ix—Ho—Mo3iii | 120.75 (4) |
Mo1iii—Se1—Invi | 148.54 (3) | Se4—Ho—Mo3iii | 120.75 (4) |
Mo2xi—Se1—Invi | 92.48 (2) | Se3ii—Ho—Mo3iii | 138.15 (6) |
Mo3—Se2—Mo2 | 64.703 (19) | Se2iii—Ho—Mo3iii | 53.61 (3) |
Mo3—Se2—Mo2v | 62.848 (18) | Se2xix—Ho—Mo3iii | 53.61 (3) |
Mo2—Se2—Mo2v | 61.02 (2) | Se4ix—Ho—Se3iii | 83.57 (4) |
Mo3—Se2—Mo1 | 130.30 (3) | Se4—Ho—Se3iii | 83.57 (4) |
Mo2—Se2—Mo1 | 127.66 (2) | Se3ii—Ho—Se3iii | 169.47 (6) |
Mo2v—Se2—Mo1 | 81.96 (2) | Se2iii—Ho—Se3iii | 81.51 (3) |
Mo3—Se2—Hoii | 64.54 (3) | Se2xix—Ho—Se3iii | 81.51 (3) |
Mo2—Se2—Hoii | 129.24 (3) | Mo3iii—Ho—Se3iii | 52.38 (3) |
Mo2v—Se2—Hoii | 95.61 (4) | Se4ix—Ho—Hoiii | 50.12 (2) |
Mo1—Se2—Hoii | 87.01 (3) | Se4—Ho—Hoiii | 50.12 (2) |
Mo3—Se2—Invi | 117.17 (3) | Se3ii—Ho—Hoiii | 58.17 (5) |
Mo2—Se2—Invi | 102.597 (19) | Se2iii—Ho—Hoiii | 130.20 (3) |
Mo2v—Se2—Invi | 162.70 (2) | Se2xix—Ho—Hoiii | 130.20 (3) |
Mo1—Se2—Invi | 106.76 (2) | Mo3iii—Ho—Hoiii | 163.68 (7) |
Hoii—Se2—Invi | 99.69 (4) | Se3iii—Ho—Hoiii | 111.30 (5) |
Mo3v—Se3—Mo3 | 63.41 (3) | Se4ix—Ho—Hoii | 50.12 (2) |
Mo3v—Se3—Mo2x | 63.224 (17) | Se4—Ho—Hoii | 50.12 (2) |
Mo3—Se3—Mo2x | 61.881 (17) | Se3ii—Ho—Hoii | 118.17 (5) |
Mo3v—Se3—Mo2v | 63.224 (17) | Se2iii—Ho—Hoii | 113.79 (5) |
Mo3—Se3—Mo2v | 61.881 (17) | Se2xix—Ho—Hoii | 113.79 (5) |
Mo2x—Se3—Mo2v | 114.35 (3) | Mo3iii—Ho—Hoii | 103.68 (7) |
Mo3v—Se3—Hoiii | 163.64 (5) | Se3iii—Ho—Hoii | 51.30 (5) |
Mo3—Se3—Hoiii | 132.95 (5) | Hoiii—Ho—Hoii | 60.0 |
Mo2x—Se3—Hoiii | 121.145 (17) | Se4ix—Ho—Inxvii | 153.40 (5) |
Mo2v—Se3—Hoiii | 121.145 (17) | Se4—Ho—Inxvii | 101.72 (3) |
Mo3v—Se3—Hoii | 125.83 (4) | Se3ii—Ho—Inxvii | 65.90 (3) |
Mo3—Se3—Hoii | 62.42 (3) | Se2iii—Ho—Inxvii | 42.80 (2) |
Mo2x—Se3—Hoii | 91.10 (2) | Se2xix—Ho—Inxvii | 92.62 (4) |
Mo2v—Se3—Hoii | 91.10 (2) | Mo3iii—Ho—Inxvii | 78.51 (3) |
Hoiii—Se3—Hoii | 70.53 (6) | Se3iii—Ho—Inxvii | 122.64 (3) |
Mo3v—Se3—Inxii | 87.95 (2) | Hoiii—Ho—Inxvii | 115.19 (5) |
Mo3—Se3—Inxii | 136.807 (19) | Hoii—Ho—Inxvii | 149.064 (16) |
Mo2x—Se3—Inxii | 76.790 (18) | Se4ix—Ho—Inxx | 101.72 (3) |
Mo2v—Se3—Inxii | 134.33 (3) | Se4—Ho—Inxx | 153.40 (5) |
Hoiii—Se3—Inxii | 78.44 (3) | Se3ii—Ho—Inxx | 65.90 (3) |
Hoii—Se3—Inxii | 134.15 (2) | Se2iii—Ho—Inxx | 92.62 (4) |
Mo3v—Se3—Inxiii | 87.95 (2) | Se2xix—Ho—Inxx | 42.80 (2) |
Mo3—Se3—Inxiii | 136.807 (19) | Mo3iii—Ho—Inxx | 78.51 (3) |
Mo2x—Se3—Inxiii | 134.33 (3) | Se3iii—Ho—Inxx | 122.64 (3) |
Mo2v—Se3—Inxiii | 76.790 (18) | Hoiii—Ho—Inxx | 115.19 (5) |
Hoiii—Se3—Inxiii | 78.44 (3) | Hoii—Ho—Inxx | 149.064 (16) |
Hoii—Se3—Inxiii | 134.15 (2) | Inxvii—Ho—Inxx | 61.87 (3) |
Symmetry codes: (i) x−y, x, −z+1; (ii) −y, x−y, z; (iii) −x+y, −x, z; (iv) y, −x+y, −z+1; (v) −x+y+1, −x+1, z; (vi) −x+1, −y, −z+1; (vii) −y+1, x−y, z; (viii) −x+y+1, −x, z; (ix) x, y, −z+3/2; (x) −x+y+1, −x+1, −z+3/2; (xi) −y, x−y−1, z; (xii) −x+1, −y+1, z+1/2; (xiii) −x+1, −y+1, −z+1; (xiv) y+1, −x+y+1, −z+1; (xv) x−y+1, x, −z+1; (xvi) y+1, −x+y, −z+1; (xvii) −x, −y, −z+1; (xviii) x−y+1, x+1, −z+1; (xix) −x+y, −x, −z+3/2; (xx) −x, −y, z+1/2. |