Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S205252061501358X/dk5037sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S205252061501358X/dk5037Isup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S205252061501358X/dk5037IIsup3.hkl |
CCDC reference: 1413155
For both compounds, data reduction: SAINT-IRIX (Bruker, 2003); program(s) used to solve structure: SIR 2014 (Burla et al., 2014); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).
Bi14O36S5 | F(000) = 3028 |
Mr = 3630.02 | Dx = 7.54 Mg m−3 |
Monoclinic, C2 | Melting point: Bi14 O36 S5 K |
a = 21.658 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 5.6648 (9) Å | µ = 76.52 mm−1 |
c = 15.092 (3) Å | T = 293 K |
β = 119.433 (11)° | Needle, white |
V = 1612.7 (5) Å3 | 0.53 × 0.04 × 0.02 mm |
Z = 2 |
Bruker AXS X8 APEX2 with 2K-CCD detector diffractometer | 3034 independent reflections |
Radiation source: fine-focus sealed tube | 2234 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.057 |
integration of the spots scans | θmax = 26.4°, θmin = 1.6° |
Absorption correction: numerical - needle program WinGX (Farrugia, 2012) | h = −26→26 |
Tmin = 0.062, Tmax = 0.309 | k = −6→7 |
5991 measured reflections | l = −18→18 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.124 | w = 1/[σ2(Fo2) + (0.1584P)2 + 1159.5515P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.342 | (Δ/σ)max = 0.001 |
S = 1.19 | Δρmax = 5.84 e Å−3 |
3034 reflections | Δρmin = −5.21 e Å−3 |
143 parameters | Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 |
10 restraints | Absolute structure parameter: 0.72 (11) |
Bi14O36S5 | V = 1612.7 (5) Å3 |
Mr = 3630.02 | Z = 2 |
Monoclinic, C2 | Mo Kα radiation |
a = 21.658 (4) Å | µ = 76.52 mm−1 |
b = 5.6648 (9) Å | T = 293 K |
c = 15.092 (3) Å | 0.53 × 0.04 × 0.02 mm |
β = 119.433 (11)° |
Bruker AXS X8 APEX2 with 2K-CCD detector diffractometer | 3034 independent reflections |
Absorption correction: numerical - needle program WinGX (Farrugia, 2012) | 2234 reflections with I > 2σ(I) |
Tmin = 0.062, Tmax = 0.309 | Rint = 0.057 |
5991 measured reflections |
R[F2 > 2σ(F2)] = 0.124 | w = 1/[σ2(Fo2) + (0.1584P)2 + 1159.5515P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.342 | Δρmax = 5.84 e Å−3 |
S = 1.19 | Δρmin = −5.21 e Å−3 |
3034 reflections | Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 |
143 parameters | Absolute structure parameter: 0.72 (11) |
10 restraints |
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 | ||
Bi1 | 0.32061 (16) | 0.6216 (6) | 0.0357 (2) | 0.0215 (7) | |
Bi2 | 0.21038 (18) | 0.6834 (8) | 0.1551 (2) | 0.0349 (11) | |
Bi3 | 0.46302 (16) | 0.2140 (9) | 0.1037 (3) | 0.0305 (8) | |
Bi4 | 0.37244 (17) | 0.7054 (8) | 0.4221 (2) | 0.0280 (8) | |
Bi5 | 0.74335 (19) | 0.7158 (10) | 0.3680 (3) | 0.0387 (9) | |
Bi6 | 0.34840 (19) | 0.1510 (7) | 0.2310 (3) | 0.0328 (10) | |
Bi7 | 0.49262 (19) | 0.7215 (10) | 0.2911 (3) | 0.0367 (9) | |
S1 | 0.5000 | 0.229 (9) | 0.5000 | 0.032 (7)* | |
O17 | 0.556 (3) | 0.185 (16) | 0.473 (5) | 0.049 (18)* | |
S2 | 0.0837 (8) | 0.207 (4) | 0.1133 (11) | 0.012 (3)* | |
O9 | 0.085 (7) | 0.422 (14) | 0.059 (9) | 0.09 (4)* | |
O10 | 0.061 (9) | 0.03 (2) | 0.029 (9) | 0.13 (6)* | |
O11 | 0.1629 (14) | 0.21 (2) | 0.182 (5) | 0.06 (2)* | |
O12 | 0.021 (5) | 0.14 (3) | 0.123 (11) | 0.13 (5)* | |
S3 | 0.6270 (15) | 0.198 (7) | 0.376 (2) | 0.053 (7)* | |
O13 | 0.675 (7) | 0.25 (5) | 0.333 (11) | 0.16 (6)* | |
O14 | 0.667 (12) | 0.39 (3) | 0.448 (16) | 0.23 (12)* | |
O15 | 0.654 (6) | −0.015 (14) | 0.442 (8) | 0.08 (3)* | |
O16 | 0.566 (4) | 0.24 (3) | 0.392 (7) | 0.08 (3)* | |
O1 | 0.269 (3) | 0.930 (12) | 0.110 (5) | 0.024 (13)* | |
O2 | 0.269 (3) | 0.457 (10) | 0.112 (4) | 0.014 (11)* | |
O3 | 0.795 (4) | 0.470 (14) | 0.329 (6) | 0.035 (17)* | |
O4 | 0.305 (3) | 0.457 (10) | 0.327 (4) | 0.018 (12)* | |
O5 | 0.438 (4) | 0.948 (13) | 0.181 (5) | 0.034 (16)* | |
O6 | 0.351 (3) | 0.231 (15) | 0.017 (4) | 0.033 (12)* | |
O7 | 0.428 (3) | 0.452 (12) | 0.180 (5) | 0.027 (14)* | |
O8 | 0.397 (5) | 0.670 (18) | 0.303 (7) | 0.07 (2)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Bi1 | 0.0207 (13) | 0.0169 (16) | 0.0315 (16) | 0.0000 (13) | 0.0163 (12) | 0.0061 (13) |
Bi2 | 0.0314 (16) | 0.051 (3) | 0.0250 (15) | −0.0128 (17) | 0.0157 (13) | −0.0169 (17) |
Bi3 | 0.0275 (15) | 0.0284 (18) | 0.0438 (18) | −0.0033 (17) | 0.0238 (14) | 0.0064 (19) |
Bi4 | 0.0325 (16) | 0.0245 (19) | 0.0252 (14) | 0.0017 (16) | 0.0128 (12) | −0.0016 (16) |
Bi5 | 0.0385 (18) | 0.030 (2) | 0.052 (2) | 0.0001 (19) | 0.0260 (16) | −0.009 (2) |
Bi6 | 0.0308 (17) | 0.043 (3) | 0.0294 (16) | −0.0174 (14) | 0.0185 (14) | −0.0141 (14) |
Bi7 | 0.0395 (18) | 0.036 (2) | 0.0355 (17) | −0.006 (2) | 0.0194 (15) | 0.000 (2) |
Bi1—O2 | 2.17 (5) | Bi6—O5iii | 2.65 (7) |
Bi1—O1i | 2.36 (6) | Bi6—O4 | 2.71 (6) |
Bi1—O6 | 2.36 (8) | Bi6—Bi4iii | 3.672 (6) |
Bi1—O7 | 2.46 (6) | Bi7—O5 | 1.97 (7) |
Bi1—O1 | 2.60 (7) | Bi7—O7 | 2.19 (6) |
Bi1—Bi3 | 3.576 (5) | Bi7—O8 | 2.20 (9) |
Bi1—Bi2i | 3.606 (6) | S1—O17ix | 1.47 (2) |
Bi1—Bi2 | 3.646 (4) | S1—O17 | 1.47 (2) |
Bi2—O2 | 2.12 (5) | O17—O16 | 1.38 (10) |
Bi2—O1 | 2.21 (6) | S2—O9 | 1.48 (2) |
Bi2—O6ii | 2.28 (6) | S2—O10 | 1.48 (2) |
Bi2—O4 | 2.72 (6) | S2—O12 | 1.48 (2) |
Bi2—Bi1ii | 3.606 (6) | S2—O11 | 1.51 (2) |
Bi3—O6 | 2.13 (6) | O9—Bi3ii | 2.71 (6) |
Bi3—O7 | 2.14 (6) | O10—Bi3i | 2.56 (4) |
Bi3—O5iii | 2.14 (7) | O11—Bi5viii | 2.47 (6) |
Bi3—O10ii | 2.56 (4) | O12—Bi3viii | 2.66 (13) |
Bi3—O12iv | 2.66 (13) | S3—O16 | 1.47 (2) |
Bi3—O9i | 2.71 (6) | S3—O13 | 1.49 (2) |
Bi4—O4 | 2.02 (6) | S3—O14 | 1.49 (2) |
Bi4—O8 | 2.11 (8) | S3—O15 | 1.49 (2) |
Bi4—O3v | 2.17 (7) | O14—Bi5x | 2.7 (3) |
Bi4—Bi6vi | 3.672 (6) | O1—Bi6vi | 2.19 (7) |
Bi5—O3 | 2.04 (8) | O1—Bi1ii | 2.36 (6) |
Bi5—O4iv | 2.20 (6) | O3—Bi4xi | 2.17 (7) |
Bi5—O11iv | 2.47 (6) | O3—Bi6iv | 2.51 (7) |
Bi5—O14vii | 2.7 (3) | O4—Bi5viii | 2.20 (6) |
Bi6—O1iii | 2.19 (7) | O5—Bi3vi | 2.14 (7) |
Bi6—O2 | 2.48 (5) | O5—Bi6vi | 2.65 (7) |
Bi6—O3viii | 2.51 (7) | O6—Bi2i | 2.28 (6) |
O2—Bi1—O1i | 83.9 (19) | O3—Bi5—O11iv | 81 (3) |
O2—Bi1—O6 | 84 (2) | O4iv—Bi5—O11iv | 83 (3) |
O1i—Bi1—O6 | 67 (2) | O3—Bi5—O14vii | 109 (5) |
O2—Bi1—O7 | 83 (2) | O4iv—Bi5—O14vii | 80 (5) |
O1i—Bi1—O7 | 129 (2) | O11iv—Bi5—O14vii | 158 (4) |
O6—Bi1—O7 | 63 (2) | O1iii—Bi6—O2 | 79 (2) |
O2—Bi1—O1 | 67.6 (19) | O1iii—Bi6—O3viii | 82 (2) |
O1i—Bi1—O1 | 112.1 (13) | O2—Bi6—O3viii | 111 (2) |
O6—Bi1—O1 | 152 (2) | O1iii—Bi6—O5iii | 84 (2) |
O7—Bi1—O1 | 107 (2) | O2—Bi6—O5iii | 116 (2) |
O2—Bi1—Bi3 | 99.5 (14) | O3viii—Bi6—O5iii | 127 (2) |
O1i—Bi1—Bi3 | 99.7 (16) | O1iii—Bi6—O4 | 119 (2) |
O6—Bi1—Bi3 | 35.0 (14) | O2—Bi6—O4 | 69.0 (17) |
O7—Bi1—Bi3 | 35.9 (15) | O3viii—Bi6—O4 | 64.0 (19) |
O1—Bi1—Bi3 | 143.4 (14) | O5iii—Bi6—O4 | 157.1 (19) |
O2—Bi1—Bi2i | 100.8 (15) | O1iii—Bi6—Bi4iii | 90.8 (17) |
O1i—Bi1—Bi2i | 36.5 (15) | O2—Bi6—Bi4iii | 146.0 (12) |
O6—Bi1—Bi2i | 38.2 (14) | O3viii—Bi6—Bi4iii | 35.1 (17) |
O7—Bi1—Bi2i | 99.3 (15) | O5iii—Bi6—Bi4iii | 94.7 (16) |
O1—Bi1—Bi2i | 148.6 (14) | O4—Bi6—Bi4iii | 88.3 (12) |
Bi3—Bi1—Bi2i | 65.20 (10) | O5—Bi7—O7 | 85 (2) |
O2—Bi1—Bi2 | 31.4 (15) | O5—Bi7—O8 | 87 (3) |
O1i—Bi1—Bi2 | 93.7 (15) | O7—Bi7—O8 | 72 (3) |
O6—Bi1—Bi2 | 115.7 (14) | O17ix—S1—O17 | 161 (8) |
O7—Bi1—Bi2 | 99.4 (15) | O16—O17—S1 | 137 (6) |
O1—Bi1—Bi2 | 36.9 (14) | O9—S2—O10 | 99 (7) |
Bi3—Bi1—Bi2 | 127.02 (12) | O9—S2—O12 | 123 (8) |
Bi2i—Bi1—Bi2 | 123.40 (13) | O10—S2—O12 | 88 (9) |
O2—Bi2—O1 | 76 (2) | O9—S2—O11 | 92 (7) |
O2—Bi2—O6ii | 80 (2) | O10—S2—O11 | 113 (8) |
O1—Bi2—O6ii | 71 (2) | O12—S2—O11 | 136 (7) |
O2—Bi2—O4 | 73.8 (18) | S2—O9—Bi3ii | 154 (8) |
O1—Bi2—O4 | 108 (2) | S2—O10—Bi3i | 173 (10) |
O6ii—Bi2—O4 | 153 (2) | S2—O11—Bi5viii | 135 (4) |
O2—Bi2—Bi1ii | 94.5 (15) | S2—O12—Bi3viii | 130 (9) |
O1—Bi2—Bi1ii | 39.4 (16) | O16—S3—O13 | 156 (10) |
O6ii—Bi2—Bi1ii | 40 (2) | O16—S3—O14 | 90 (10) |
O4—Bi2—Bi1ii | 147.8 (12) | O13—S3—O14 | 85 (10) |
O2—Bi2—Bi1 | 32.3 (15) | O16—S3—O15 | 96 (7) |
O1—Bi2—Bi1 | 44.9 (17) | O13—S3—O15 | 108 (10) |
O6ii—Bi2—Bi1 | 66.5 (14) | O14—S3—O15 | 102 (10) |
O4—Bi2—Bi1 | 93.3 (12) | S3—O14—Bi5x | 110 (10) |
Bi1ii—Bi2—Bi1 | 65.28 (8) | O17—O16—S3 | 132 (8) |
O6—Bi3—O7 | 72 (3) | Bi6vi—O1—Bi2 | 116 (3) |
O6—Bi3—O5iii | 81 (3) | Bi6vi—O1—Bi1ii | 118 (3) |
O7—Bi3—O5iii | 84 (2) | Bi2—O1—Bi1ii | 104 (2) |
O6—Bi3—O10ii | 76 (4) | Bi6vi—O1—Bi1 | 115 (3) |
O7—Bi3—O10ii | 89 (4) | Bi2—O1—Bi1 | 98 (2) |
O5iii—Bi3—O10ii | 157 (4) | Bi1ii—O1—Bi1 | 104 (2) |
O6—Bi3—O12iv | 111 (4) | Bi2—O2—Bi1 | 116 (3) |
O7—Bi3—O12iv | 69 (3) | Bi2—O2—Bi6 | 121 (2) |
O5iii—Bi3—O12iv | 144 (4) | Bi1—O2—Bi6 | 109 (2) |
O10ii—Bi3—O12iv | 49 (5) | Bi5—O3—Bi4xi | 130 (4) |
O6—Bi3—O9i | 70 (3) | Bi5—O3—Bi6iv | 111 (3) |
O7—Bi3—O9i | 142 (3) | Bi4xi—O3—Bi6iv | 103 (3) |
O5iii—Bi3—O9i | 89 (3) | Bi4—O4—Bi5viii | 124 (3) |
O10ii—Bi3—O9i | 83 (4) | Bi4—O4—Bi6 | 120 (2) |
O12iv—Bi3—O9i | 127 (4) | Bi5viii—O4—Bi6 | 100 (2) |
O6—Bi3—Bi1 | 39 (2) | Bi4—O4—Bi2 | 107 (2) |
O7—Bi3—Bi1 | 42.4 (17) | Bi5viii—O4—Bi2 | 106 (2) |
O5iii—Bi3—Bi1 | 101.2 (19) | Bi6—O4—Bi2 | 94.9 (18) |
O10ii—Bi3—Bi1 | 60 (4) | Bi7—O5—Bi3vi | 135 (4) |
O12iv—Bi3—Bi1 | 75 (3) | Bi7—O5—Bi6vi | 106 (3) |
O9i—Bi3—Bi1 | 104 (2) | Bi3vi—O5—Bi6vi | 106 (3) |
O4—Bi4—O8 | 74 (3) | Bi3—O6—Bi2i | 123 (3) |
O4—Bi4—O3v | 88 (2) | Bi3—O6—Bi1 | 106 (3) |
O8—Bi4—O3v | 87 (3) | Bi2i—O6—Bi1 | 102 (3) |
O4—Bi4—Bi6vi | 98.6 (17) | Bi3—O7—Bi7 | 126 (3) |
O8—Bi4—Bi6vi | 53 (3) | Bi3—O7—Bi1 | 102 (2) |
O3v—Bi4—Bi6vi | 41.7 (19) | Bi7—O7—Bi1 | 112 (3) |
O3—Bi5—O4iv | 81 (2) | Bi4—O8—Bi7 | 134 (4) |
Symmetry codes: (i) −x+1/2, y−1/2, −z; (ii) −x+1/2, y+1/2, −z; (iii) x, y−1, z; (iv) x+1/2, y+1/2, z; (v) x−1/2, y+1/2, z; (vi) x, y+1, z; (vii) −x+3/2, y+1/2, −z+1; (viii) x−1/2, y−1/2, z; (ix) −x+1, y, −z+1; (x) −x+3/2, y−1/2, −z+1; (xi) x+1/2, y−1/2, z. |
As2Bi30O77S9 | Z = 4 |
Mr = 7939.87 | F(000) = 3290 |
Triclinic, P1 | Dx = 7.538 Mg m−3 |
a = 5.670 (3) Å | Melting point: As2 Bi30 O77 S9 K |
b = 13.9408 (9) Å | Mo Kα radiation, λ = 0.71073 Å |
c = 22.7908 (18) Å | µ = 76.27 mm−1 |
α = 80.903 (5)° | T = 293 K |
β = 82.854 (14)° | Needle, white |
γ = 78.27 (2)° | 0.22 × 0.01 × 0.01 mm |
V = 1733.8 (10) Å3 |
Bruker AXS X8 APEX2 with 2K-CCD detector diffractometer | 10496 independent reflections |
Radiation source: fine-focus sealed tube | 4123 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.047 |
integration of the spots scans | θmax = 30.5°, θmin = 2.9° |
Absorption correction: numerical - needle program WinGX (Farrugia, 2012) | h = −6→8 |
Tmin = 0.355, Tmax = 0.474 | k = −14→19 |
11765 measured reflections | l = −32→23 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.119 | w = 1/[σ2(Fo2) + (0.1967P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.374 | (Δ/σ)max = 0.006 |
S = 0.97 | Δρmax = 21.57 e Å−3 |
10496 reflections | Δρmin = −4.61 e Å−3 |
567 parameters | Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 |
3 restraints | Absolute structure parameter: 0.00 (5) |
As2Bi30O77S9 | γ = 78.27 (2)° |
Mr = 7939.87 | V = 1733.8 (10) Å3 |
Triclinic, P1 | Z = 4 |
a = 5.670 (3) Å | Mo Kα radiation |
b = 13.9408 (9) Å | µ = 76.27 mm−1 |
c = 22.7908 (18) Å | T = 293 K |
α = 80.903 (5)° | 0.22 × 0.01 × 0.01 mm |
β = 82.854 (14)° |
Bruker AXS X8 APEX2 with 2K-CCD detector diffractometer | 10496 independent reflections |
Absorption correction: numerical - needle program WinGX (Farrugia, 2012) | 4123 reflections with I > 2σ(I) |
Tmin = 0.355, Tmax = 0.474 | Rint = 0.047 |
11765 measured reflections |
R[F2 > 2σ(F2)] = 0.119 | 3 restraints |
wR(F2) = 0.374 | Δρmax = 21.57 e Å−3 |
S = 0.97 | Δρmin = −4.61 e Å−3 |
10496 reflections | Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 |
567 parameters | Absolute structure parameter: 0.00 (5) |
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) | |
Bi1 | 0.9141 (11) | 0.7182 (5) | 0.4117 (3) | 0.0384 (14) | |
Bi2 | 0.0535 (8) | 0.2771 (4) | 0.5889 (3) | 0.0307 (11) | |
Bi3 | 0.8933 (9) | 0.0878 (5) | 0.2832 (2) | 0.0400 (13) | |
Bi4 | 0.2633 (8) | 0.9135 (4) | 0.7164 (2) | 0.0331 (11) | |
Bi5 | 0.5110 (8) | 0.6427 (4) | 0.3150 (3) | 0.0283 (11) | |
Bi6 | 0.4736 (8) | 0.3581 (4) | 0.6854 (2) | 0.0287 (11) | |
Bi7 | 0.6855 (8) | 0.4516 (4) | 0.1507 (2) | 0.0283 (11) | |
Bi8 | 0.2943 (9) | 0.5458 (4) | 0.8501 (3) | 0.0319 (12) | |
Bi9 | 0.0263 (10) | 0.8156 (4) | 0.2489 (2) | 0.0347 (11) | |
Bi10 | 0.1037 (8) | 0.1817 (4) | 0.7514 (2) | 0.0287 (10) | |
Bi11 | 0.4813 (8) | 0.0007 (4) | 0.1842 (2) | 0.0325 (11) | |
Bi12 | 0.6679 (8) | 0.9999 (4) | 0.8151 (2) | 0.0295 (10) | |
Bi13 | 0.2620 (9) | 0.3802 (5) | 0.0572 (2) | 0.0326 (12) | |
Bi14 | 0.7028 (8) | 0.6179 (4) | 0.9439 (2) | 0.0260 (10) | |
Bi15 | 0.8505 (9) | 0.1779 (4) | 0.1235 (3) | 0.0322 (11) | |
Bi16 | 0.1467 (8) | 0.8196 (4) | 0.8765 (2) | 0.0218 (9) | |
Bi17 | 0.1969 (11) | 0.1776 (7) | 0.3850 (3) | 0.0509 (19) | |
Bi18 | 0.7571 (8) | 0.8308 (7) | 0.6131 (3) | 0.0476 (18) | |
Bi19 | 0.9836 (7) | 0.9104 (4) | 0.0835 (2) | 0.0222 (9) | |
Bi20 | 0.9795 (8) | 0.0885 (4) | 0.9165 (2) | 0.0270 (10) | |
Bi21 | 0.5359 (9) | 0.7397 (4) | 0.1421 (3) | 0.0321 (12) | |
Bi22 | 0.4202 (7) | 0.2601 (4) | 0.8566 (2) | 0.0240 (9) | |
Bi23 | 0.2812 (11) | 0.2743 (6) | 0.2183 (3) | 0.0509 (19) | |
Bi24 | 0.7551 (14) | 0.7328 (6) | 0.7821 (3) | 0.0455 (16) | |
Bi25 | 0.4006 (17) | 0.9138 (6) | 0.3428 (3) | 0.060 (2) | |
Bi26 | 0.6882 (12) | 0.0926 (5) | 0.6538 (3) | 0.0504 (18) | |
Bi27 | 0.2042 (13) | 0.0121 (8) | 0.5500 (4) | 0.066 (2) | |
Bi28 | 0.6337 (14) | 0.3568 (7) | 0.3233 (4) | 0.064 (2) | |
Bi29 | 0.9137 (12) | 0.5526 (7) | 0.6128 (5) | 0.069 (3) | |
Bi30 | 0.4831 (12) | 0.4807 (6) | 0.5206 (4) | 0.0565 (18) | |
S1 | 0.148 (4) | 0.6229 (18) | 0.0487 (11) | 0.014 (4)* | |
O34 | 0.39 (2) | 0.594 (10) | 0.055 (6) | 0.07 (3)* | |
O35 | 0.125 (12) | 0.670 (6) | 0.988 (3) | 0.029 (15)* | |
O36 | 0.92 (2) | 0.535 (11) | 0.068 (7) | 0.08 (4)* | |
S2 | 0.815 (6) | 0.375 (3) | 0.9528 (17) | 0.036 (7)* | |
O37 | 0.95 (3) | 0.434 (12) | 0.921 (7) | 0.08 (4)* | |
O38 | 0.830 (12) | 0.310 (6) | 0.909 (3) | 0.025 (14)* | |
O39 | 0.71 (4) | 0.352 (19) | 0.017 (11) | 0.14 (8)* | |
O40 | 0.525 (16) | 0.441 (8) | 0.934 (4) | 0.04 (2)* | |
S3 | 0.070 (5) | 0.559 (2) | 0.2365 (14) | 0.023 (5)* | |
O41 | 0.98 (2) | 0.581 (11) | 0.290 (6) | 0.08 (4)* | |
O42 | 0.88 (2) | 0.631 (9) | 0.216 (5) | 0.06 (3)* | |
O43 | 0.301 (12) | 0.576 (6) | 0.195 (3) | 0.026 (14)* | |
O44 | 0.014 (14) | 0.456 (6) | 0.222 (4) | 0.035 (17)* | |
S4 | 0.864 (5) | 0.438 (3) | 0.7748 (15) | 0.029 (6)* | |
O45 | 0.73 (3) | 0.375 (12) | 0.788 (7) | 0.09 (4)* | |
O46 | 0.888 (17) | 0.445 (8) | 0.692 (5) | 0.05 (2)* | |
S5 | 0.558 (7) | 0.870 (3) | 0.972 (2) | 0.044 (9)* | |
O47 | 0.322 (14) | 0.914 (7) | 0.954 (4) | 0.037 (17)* | |
O48 | 0.617 (17) | 0.788 (8) | 0.927 (5) | 0.05 (2)* | |
O49 | 0.79 (3) | 0.916 (12) | 0.953 (7) | 0.08 (4)* | |
O50 | 0.42 (2) | 0.808 (11) | 0.036 (6) | 0.07 (3)* | |
S6 | 0.604 (6) | 0.240 (3) | 0.4964 (17) | 0.036 (7)* | |
O51 | 0.534 (15) | 0.312 (7) | 0.527 (4) | 0.036 (18)* | |
O52 | 0.46 (3) | 0.147 (13) | 0.525 (7) | 0.09 (4)* | |
As7 | 0.077 (2) | 0.4437 (11) | 0.3858 (6) | 0.005 (4)* | 0.25 (8) |
S7 | 0.077 (2) | 0.4437 (11) | 0.3858 (6) | 0.005 (4)* | 0.75 (8) |
O53 | 0.232 (19) | 0.519 (9) | 0.409 (5) | 0.05 (2)* | |
O54 | 0.825 (17) | 0.533 (8) | 0.401 (4) | 0.04 (2)* | |
S8 | 0.400 (4) | 0.1251 (18) | 0.0310 (11) | 0.012 (4)* | |
O55 | 0.314 (17) | 0.192 (8) | 0.064 (5) | 0.05 (2)* | |
O56 | 0.367 (14) | 0.153 (7) | 0.967 (4) | 0.035 (17)* | |
O57 | 0.201 (14) | 0.069 (7) | 0.055 (4) | 0.033 (17)* | |
As9 | 0.770 (2) | 0.9817 (10) | 0.4510 (6) | 0.019 (4)* | 0.71 (10) |
S9 | 0.770 (2) | 0.9817 (10) | 0.4510 (6) | 0.019 (4)* | 0.29 (10) |
O58 | 0.586 (16) | 0.030 (7) | 0.405 (4) | 0.04 (2)* | |
O59 | 0.823 (16) | 0.888 (8) | 0.391 (5) | 0.04 (2)* | |
As10 | 0.3156 (17) | 0.6413 (8) | 0.6790 (5) | 0.007 (3)* | 0.72 (8) |
S10 | 0.3156 (17) | 0.6413 (8) | 0.6790 (5) | 0.007 (3)* | 0.28 (8) |
O60 | 0.10 (3) | 0.722 (12) | 0.687 (7) | 0.09 (4)* | |
S11 | 0.367 (10) | 0.734 (5) | 0.513 (3) | 0.070 (14)* | |
O61 | 0.188 (14) | 0.661 (7) | 0.525 (4) | 0.034 (17)* | |
O62 | 0.37 (2) | 0.740 (9) | 0.455 (5) | 0.06 (3)* | |
O1 | 0.683 (16) | 0.440 (7) | 0.590 (4) | 0.04 (2)* | |
O2 | 0.428 (13) | 0.240 (6) | 0.318 (4) | 0.027 (15)* | |
O3 | 0.252 (12) | 0.139 (6) | 0.853 (3) | 0.022 (14)* | |
O4 | 0.556 (12) | 0.162 (6) | 0.195 (4) | 0.023 (15)* | |
O5 | 0.849 (11) | 0.058 (5) | 0.735 (3) | 0.019 (13)* | |
O6 | 0.380 (11) | 0.844 (6) | 0.804 (3) | 0.020 (14)* | |
O7 | 0.781 (14) | 0.254 (7) | 0.664 (4) | 0.029 (17)* | |
O8 | 0.725 (10) | 0.843 (5) | 0.148 (3) | 0.013 (11)* | |
O9 | 0.726 (11) | 0.147 (5) | 0.857 (3) | 0.017 (12)* | |
O10 | 0.19 (2) | 0.450 (9) | 0.586 (6) | 0.06 (3)* | |
O11 | 0.965 (17) | 0.953 (8) | 0.607 (5) | 0.05 (2)* | |
O12 | 0.950 (10) | 0.650 (5) | 0.870 (3) | 0.016 (12)* | |
O13 | 0.230 (11) | 0.850 (5) | 0.151 (3) | 0.018 (13)* | |
O14 | 0.150 (15) | 0.945 (7) | 0.274 (4) | 0.04 (2)* | |
O15 | 0.325 (12) | 0.059 (6) | 0.731 (4) | 0.025 (15)* | |
O16 | 0.199 (11) | 0.745 (6) | 0.339 (3) | 0.018 (13)* | |
O17 | 0.917 (11) | 0.839 (5) | 0.805 (3) | 0.019 (13)* | |
O18 | 0.281 (10) | 0.253 (5) | 0.666 (3) | 0.015 (12)* | |
O19 | 0.960 (17) | 0.248 (8) | 0.318 (5) | 0.04 (2)* | |
O20 | 0.456 (16) | 0.954 (8) | 0.616 (5) | 0.04 (2)* | |
O21 | 0.021 (18) | 0.353 (8) | 0.115 (5) | 0.05 (2)* | |
O22 | 0.466 (12) | 0.638 (6) | 0.873 (3) | 0.025 (14)* | |
O23 | 0.689 (13) | 0.748 (7) | 0.339 (4) | 0.029 (17)* | |
O24 | 0.635 (15) | 0.960 (7) | 0.272 (4) | 0.04 (2)* | |
O25 | 0.076 (16) | 0.156 (8) | 0.195 (5) | 0.04 (2)* | |
O26 | 0.097 (11) | 0.108 (5) | 0.614 (3) | 0.019 (12)* | |
O27 | 0.431 (14) | 0.747 (7) | 0.231 (4) | 0.037 (18)* | |
O28 | 0.422 (13) | 0.251 (6) | 0.763 (3) | 0.030 (15)* | |
O29 | 0.849 (14) | 0.011 (6) | 0.145 (4) | 0.033 (17)* | |
O30 | 0.982 (15) | 0.977 (7) | 0.853 (4) | 0.040 (19)* | |
O31 | 0.63 (2) | 0.343 (10) | 0.232 (6) | 0.07 (3)* | |
O32 | 0.62 (3) | 0.853 (12) | 0.708 (7) | 0.04 (3)* | 0.60 |
O33 | 0.23 (3) | 1.092 (12) | 0.324 (7) | 0.04 (3)* | 0.60 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Bi1 | 0.041 (3) | 0.043 (3) | 0.029 (3) | −0.009 (2) | −0.002 (2) | 0.003 (2) |
Bi2 | 0.031 (2) | 0.033 (3) | 0.031 (3) | −0.0108 (19) | −0.0056 (18) | −0.004 (2) |
Bi3 | 0.030 (2) | 0.062 (4) | 0.029 (2) | −0.013 (2) | −0.0007 (18) | −0.004 (2) |
Bi4 | 0.0223 (18) | 0.050 (3) | 0.029 (2) | −0.0082 (19) | −0.0061 (16) | −0.007 (2) |
Bi5 | 0.0229 (19) | 0.030 (3) | 0.036 (3) | −0.0116 (18) | −0.0031 (17) | −0.007 (2) |
Bi6 | 0.0222 (18) | 0.024 (2) | 0.037 (3) | 0.0080 (16) | −0.0047 (17) | −0.007 (2) |
Bi7 | 0.0238 (18) | 0.028 (2) | 0.031 (3) | −0.0028 (17) | −0.0007 (16) | −0.002 (2) |
Bi8 | 0.036 (2) | 0.022 (2) | 0.039 (3) | −0.0045 (19) | −0.009 (2) | −0.005 (2) |
Bi9 | 0.036 (2) | 0.030 (2) | 0.036 (3) | −0.0058 (19) | −0.0003 (19) | −0.0031 (19) |
Bi10 | 0.029 (2) | 0.0235 (19) | 0.036 (2) | −0.0049 (16) | −0.0086 (17) | −0.0064 (17) |
Bi11 | 0.023 (2) | 0.045 (3) | 0.029 (2) | −0.0062 (18) | −0.0026 (16) | −0.005 (2) |
Bi12 | 0.0255 (19) | 0.034 (2) | 0.031 (2) | −0.0079 (17) | −0.0001 (16) | −0.0085 (18) |
Bi13 | 0.034 (2) | 0.039 (3) | 0.022 (2) | −0.002 (2) | −0.0068 (17) | 0.001 (2) |
Bi14 | 0.0196 (17) | 0.028 (2) | 0.030 (3) | −0.0063 (16) | 0.0038 (15) | −0.0073 (19) |
Bi15 | 0.032 (2) | 0.037 (3) | 0.025 (2) | 0.000 (2) | −0.0051 (17) | −0.002 (2) |
Bi16 | 0.0207 (18) | 0.021 (2) | 0.022 (2) | −0.0022 (15) | −0.0019 (14) | −0.0028 (16) |
Bi17 | 0.038 (2) | 0.094 (6) | 0.031 (3) | −0.025 (3) | −0.001 (2) | −0.025 (3) |
Bi18 | 0.0206 (18) | 0.089 (5) | 0.036 (3) | −0.007 (2) | 0.0035 (18) | −0.025 (3) |
Bi19 | 0.0213 (15) | 0.025 (2) | 0.020 (2) | −0.0020 (15) | −0.0020 (13) | −0.0059 (17) |
Bi20 | 0.0231 (18) | 0.034 (3) | 0.025 (2) | −0.0090 (17) | −0.0003 (15) | −0.003 (2) |
Bi21 | 0.035 (2) | 0.030 (3) | 0.034 (3) | −0.015 (2) | −0.0029 (19) | −0.004 (2) |
Bi22 | 0.0178 (15) | 0.026 (2) | 0.029 (2) | −0.0030 (15) | −0.0018 (14) | −0.0075 (18) |
Bi23 | 0.042 (3) | 0.071 (4) | 0.026 (3) | 0.023 (3) | −0.002 (2) | −0.010 (3) |
Bi24 | 0.067 (4) | 0.057 (4) | 0.027 (3) | −0.040 (3) | −0.001 (2) | −0.015 (2) |
Bi25 | 0.090 (5) | 0.064 (4) | 0.040 (3) | −0.057 (4) | 0.030 (3) | −0.026 (3) |
Bi26 | 0.062 (4) | 0.046 (3) | 0.038 (3) | 0.022 (3) | −0.029 (3) | −0.015 (2) |
Bi27 | 0.048 (3) | 0.093 (7) | 0.056 (5) | −0.013 (4) | −0.012 (3) | 0.001 (4) |
Bi28 | 0.060 (4) | 0.060 (5) | 0.072 (6) | −0.009 (4) | −0.012 (3) | −0.010 (4) |
Bi29 | 0.040 (3) | 0.061 (5) | 0.106 (7) | −0.011 (3) | −0.005 (3) | −0.011 (5) |
Bi30 | 0.052 (3) | 0.062 (4) | 0.058 (4) | −0.013 (3) | −0.010 (3) | −0.011 (3) |
Bi1—O23 | 2.16 (8) | Bi24—O32 | 2.26 (15) |
Bi1—O16i | 2.21 (7) | Bi24—O6 | 2.41 (7) |
Bi1—O59 | 2.30 (11) | Bi24—O12 | 2.41 (6) |
Bi2—O7ii | 2.18 (8) | Bi24—O60i | 2.74 (16) |
Bi2—O18 | 2.25 (6) | Bi25—O24 | 2.07 (9) |
Bi2—O26 | 2.30 (7) | Bi25—O14 | 2.19 (9) |
Bi2—O10 | 2.68 (13) | Bi25—O33 | 2.46 (16) |
Bi2—Bi26ii | 3.646 (11) | Bi25—O23 | 2.56 (8) |
Bi3—O33iii | 2.22 (15) | Bi25—O59 | 2.70 (10) |
Bi3—O14iii | 2.24 (9) | Bi25—O58v | 2.75 (10) |
Bi3—O25i | 2.31 (10) | Bi25—Bi3vii | 3.619 (12) |
Bi3—O19 | 2.59 (11) | Bi25—Bi11v | 3.629 (9) |
Bi3—O24iv | 2.59 (10) | Bi26—O5 | 2.10 (7) |
Bi3—Bi17i | 3.565 (8) | Bi26—O26i | 2.43 (6) |
Bi3—Bi25iii | 3.619 (13) | Bi26—O7 | 2.47 (9) |
Bi3—Bi15 | 3.679 (8) | Bi26—O11iv | 2.52 (10) |
Bi4—O32 | 2.04 (14) | Bi26—O15 | 2.61 (8) |
Bi4—O6 | 2.19 (7) | Bi26—Bi27i | 3.633 (11) |
Bi4—O15v | 2.21 (8) | Bi26—Bi2i | 3.646 (11) |
Bi4—O20 | 2.44 (10) | Bi26—Bi12iv | 3.694 (8) |
Bi4—Bi18 | 3.553 (7) | Bi27—O11viii | 1.97 (10) |
Bi4—Bi24 | 3.654 (10) | Bi27—O26 | 2.08 (7) |
Bi5—O23 | 2.11 (9) | Bi27—O20iv | 2.16 (10) |
Bi5—O16 | 2.11 (7) | Bi27—O52 | 2.54 (17) |
Bi5—O27 | 2.24 (9) | Bi27—Bi26ii | 3.633 (11) |
Bi5—O41 | 2.64 (13) | Bi28—O31 | 2.12 (14) |
Bi5—Bi9 | 3.579 (8) | Bi28—O19 | 2.15 (9) |
Bi6—O7 | 2.09 (8) | Bi28—O2 | 2.21 (8) |
Bi6—O18 | 2.12 (7) | Bi29—O10i | 2.01 (12) |
Bi6—O28 | 2.16 (8) | Bi29—O46 | 2.17 (11) |
Bi6—O1 | 2.57 (10) | Bi29—O1 | 2.39 (10) |
Bi6—Bi10 | 3.586 (8) | Bi29—Bi30i | 3.675 (11) |
Bi7—O31 | 2.23 (14) | Bi30—O1 | 1.99 (10) |
Bi7—O21i | 2.25 (10) | Bi30—O10 | 2.14 (12) |
Bi7—O36 | 2.43 (15) | Bi30—O51 | 2.29 (9) |
Bi7—O44i | 2.63 (8) | Bi30—O61 | 2.73 (8) |
Bi7—O43 | 2.69 (7) | Bi30—Bi29ii | 3.675 (11) |
Bi8—O22 | 1.93 (8) | S1—O34 | 1.39 (12) |
Bi8—O12ii | 2.23 (6) | S1—O35ix | 1.45 (8) |
Bi8—O40 | 2.54 (10) | S1—O36ii | 1.93 (15) |
Bi9—O14 | 2.24 (10) | O35—S1x | 1.45 (8) |
Bi9—O27 | 2.31 (8) | O36—S1i | 1.93 (15) |
Bi9—O16 | 2.36 (7) | O36—Bi13i | 2.62 (14) |
Bi9—O13 | 2.41 (7) | S2—O37 | 1.30 (16) |
Bi9—O24ii | 2.74 (9) | S2—O38 | 1.44 (9) |
Bi9—Bi21 | 3.636 (8) | S2—O39x | 1.5 (2) |
Bi10—O15 | 1.98 (8) | S2—O40 | 1.78 (10) |
Bi10—O18 | 2.26 (7) | O39—S2ix | 1.5 (2) |
Bi10—O28 | 2.28 (8) | S3—O41ii | 1.33 (14) |
Bi10—O3 | 2.50 (8) | S3—O42ii | 1.38 (12) |
Bi10—O5ii | 2.57 (7) | S3—O43 | 1.55 (8) |
Bi10—Bi22 | 3.586 (7) | S3—O44 | 1.63 (9) |
Bi11—O29 | 2.18 (8) | O41—S3i | 1.33 (14) |
Bi11—O24iv | 2.22 (10) | O41—O42 | 1.83 (18) |
Bi11—O4 | 2.42 (8) | O42—S3i | 1.38 (12) |
Bi11—O8iv | 2.54 (6) | O44—Bi7ii | 2.63 (8) |
Bi11—O14iv | 2.72 (9) | S4—O45 | 1.23 (17) |
Bi11—Bi15 | 3.565 (8) | S4—O46 | 1.86 (11) |
Bi11—Bi19iv | 3.576 (6) | S5—O47 | 1.44 (9) |
Bi11—Bi25iv | 3.629 (9) | S5—O49 | 1.55 (16) |
Bi12—O30 | 2.02 (9) | S5—O48 | 1.62 (12) |
Bi12—O5v | 2.11 (7) | S5—O50x | 1.75 (15) |
Bi12—O17 | 2.43 (7) | O50—S5ix | 1.75 (15) |
Bi12—O9v | 2.49 (7) | S6—O51 | 1.29 (10) |
Bi12—Bi16i | 3.564 (7) | S6—O52 | 1.68 (17) |
Bi12—Bi20v | 3.578 (7) | As7—O53 | 1.68 (12) |
Bi12—Bi26v | 3.694 (8) | As7—O54ii | 1.74 (10) |
Bi13—O21 | 1.83 (11) | O54—S7i | 1.74 (10) |
Bi13—O55 | 2.57 (11) | O54—As7i | 1.74 (10) |
Bi13—O39 | 2.6 (2) | S8—O55 | 1.27 (11) |
Bi13—O36ii | 2.62 (14) | S8—O56ix | 1.47 (9) |
Bi14—O12 | 2.11 (7) | S8—O57 | 1.51 (9) |
Bi14—O22 | 2.17 (7) | O56—S8x | 1.47 (9) |
Bi14—O48 | 2.31 (11) | O57—Bi19viii | 2.69 (9) |
Bi14—O37 | 2.75 (15) | O57—Bi15ii | 2.73 (8) |
Bi15—O25i | 2.13 (10) | As9—O58v | 1.54 (9) |
Bi15—O4 | 2.21 (7) | As9—O59 | 1.99 (11) |
Bi15—O29 | 2.31 (9) | O58—S9iv | 1.54 (9) |
Bi15—O57i | 2.73 (8) | O58—As9iv | 1.54 (9) |
Bi16—O6 | 2.02 (7) | O58—Bi25iv | 2.75 (10) |
Bi16—O17ii | 2.17 (7) | As10—O60 | 1.50 (16) |
Bi16—O30ii | 2.22 (9) | O60—Bi18ii | 2.78 (16) |
Bi16—O47 | 2.74 (9) | O60—Bi24ii | 2.74 (15) |
Bi16—Bi12ii | 3.564 (7) | S11—O62 | 1.31 (13) |
Bi17—O33iv | 1.94 (16) | S11—O61 | 1.54 (11) |
Bi17—O2 | 2.09 (8) | O3—Bi20ii | 2.13 (7) |
Bi17—O19ii | 2.15 (10) | O5—Bi12iv | 2.11 (7) |
Bi17—O58 | 2.73 (9) | O5—Bi10i | 2.57 (7) |
Bi17—Bi3ii | 3.565 (8) | O7—Bi2i | 2.18 (8) |
Bi18—O20 | 2.16 (10) | O8—Bi11v | 2.54 (6) |
Bi18—O11 | 2.24 (11) | O9—Bi12iv | 2.49 (7) |
Bi18—O32 | 2.26 (15) | O10—Bi29ii | 2.01 (12) |
Bi18—O60i | 2.78 (16) | O11—Bi27vi | 1.97 (10) |
Bi19—O29v | 2.11 (9) | O11—Bi26v | 2.52 (10) |
Bi19—O13i | 2.16 (7) | O12—Bi8i | 2.23 (6) |
Bi19—O8 | 2.18 (6) | O13—Bi19ii | 2.16 (7) |
Bi19—O57vi | 2.69 (9) | O14—Bi3vii | 2.24 (9) |
Bi19—Bi11v | 3.576 (7) | O14—Bi11v | 2.72 (9) |
Bi20—O9 | 2.06 (6) | O15—Bi4iv | 2.21 (8) |
Bi20—O3i | 2.13 (7) | O16—Bi1ii | 2.21 (7) |
Bi20—O30iv | 2.28 (10) | O17—Bi16i | 2.17 (7) |
Bi20—Bi12iv | 3.578 (7) | O19—Bi17i | 2.15 (10) |
Bi21—O8 | 2.00 (6) | O19—Bi23i | 2.75 (10) |
Bi21—O27 | 2.06 (9) | O20—Bi27v | 2.16 (10) |
Bi21—O13 | 2.09 (6) | O21—Bi7ii | 2.25 (10) |
Bi21—O50 | 2.57 (14) | O24—Bi11v | 2.22 (10) |
Bi22—O9 | 2.09 (6) | O24—Bi3v | 2.59 (10) |
Bi22—O3 | 2.12 (8) | O24—Bi9i | 2.74 (9) |
Bi22—O28 | 2.15 (8) | O25—Bi15ii | 2.13 (10) |
Bi22—O56 | 2.73 (9) | O25—Bi3ii | 2.31 (10) |
Bi23—O4 | 2.06 (7) | O26—Bi26ii | 2.43 (6) |
Bi23—O25 | 2.37 (11) | O29—Bi19iv | 2.11 (9) |
Bi23—O31 | 2.45 (13) | O30—Bi16i | 2.22 (9) |
Bi23—O2 | 2.46 (8) | O30—Bi20v | 2.28 (10) |
Bi23—O44 | 2.68 (8) | O33—Bi17v | 1.94 (16) |
Bi23—O19ii | 2.75 (10) | O33—Bi3vii | 2.22 (15) |
Bi24—O17 | 2.05 (7) | ||
O23—Bi1—O16i | 83 (3) | O25—Bi23—O44 | 115 (3) |
O23—Bi1—O59 | 75 (3) | O31—Bi23—O44 | 88 (4) |
O16i—Bi1—O59 | 79 (3) | O2—Bi23—O44 | 101 (3) |
O7ii—Bi2—O18 | 80 (3) | O4—Bi23—O19ii | 121 (3) |
O7ii—Bi2—O26 | 75 (3) | O25—Bi23—O19ii | 77 (3) |
O18—Bi2—O26 | 80 (2) | O31—Bi23—O19ii | 116 (4) |
O7ii—Bi2—O10 | 111 (4) | O2—Bi23—O19ii | 61 (3) |
O18—Bi2—O10 | 75 (3) | O44—Bi23—O19ii | 77 (3) |
O26—Bi2—O10 | 153 (3) | O17—Bi24—O32 | 83 (4) |
O7ii—Bi2—Bi26ii | 41 (2) | O17—Bi24—O6 | 85 (3) |
O18—Bi2—Bi26ii | 95.4 (18) | O32—Bi24—O6 | 63 (4) |
O26—Bi2—Bi26ii | 40.8 (15) | O17—Bi24—O12 | 77 (2) |
O10—Bi2—Bi26ii | 152 (3) | O32—Bi24—O12 | 160 (4) |
O33iii—Bi3—O14iii | 72 (5) | O6—Bi24—O12 | 114 (2) |
O33iii—Bi3—O25i | 87 (5) | O17—Bi24—O60i | 86 (4) |
O14iii—Bi3—O25i | 88 (3) | O32—Bi24—O60i | 72 (5) |
O33iii—Bi3—O19 | 59 (5) | O6—Bi24—O60i | 135 (4) |
O14iii—Bi3—O19 | 130 (3) | O12—Bi24—O60i | 107 (4) |
O25i—Bi3—O19 | 82 (4) | O17—Bi24—Bi4 | 93.6 (19) |
O33iii—Bi3—O24iv | 138 (5) | O32—Bi24—Bi4 | 30 (4) |
O14iii—Bi3—O24iv | 73 (3) | O6—Bi24—Bi4 | 35.4 (18) |
O25i—Bi3—O24iv | 115 (3) | O12—Bi24—Bi4 | 149.2 (15) |
O19—Bi3—O24iv | 154 (3) | O60i—Bi24—Bi4 | 101 (3) |
O33iii—Bi3—Bi17i | 29 (4) | O24—Bi25—O14 | 82 (4) |
O14iii—Bi3—Bi17i | 99 (2) | O24—Bi25—O33 | 79 (4) |
O25i—Bi3—Bi17i | 99 (3) | O14—Bi25—O33 | 69 (4) |
O19—Bi3—Bi17i | 37 (2) | O24—Bi25—O23 | 83 (3) |
O24iv—Bi3—Bi17i | 145 (2) | O14—Bi25—O23 | 112 (3) |
O33iii—Bi3—Bi25iii | 42 (4) | O33—Bi25—O23 | 162 (4) |
O14iii—Bi3—Bi25iii | 35 (2) | O24—Bi25—O59 | 77 (3) |
O25i—Bi3—Bi25iii | 101 (2) | O14—Bi25—O59 | 158 (3) |
O19—Bi3—Bi25iii | 100 (2) | O33—Bi25—O59 | 110 (4) |
O24iv—Bi3—Bi25iii | 97 (2) | O23—Bi25—O59 | 62 (3) |
Bi17i—Bi3—Bi25iii | 65.0 (2) | O24—Bi25—O58v | 85 (3) |
O33iii—Bi3—Bi15 | 120 (4) | O14—Bi25—O58v | 134 (3) |
O14iii—Bi3—Bi15 | 98 (2) | O33—Bi25—O58v | 66 (4) |
O25i—Bi3—Bi15 | 33 (2) | O23—Bi25—O58v | 110 (3) |
O19—Bi3—Bi15 | 99 (2) | O59—Bi25—O58v | 48 (3) |
O24iv—Bi3—Bi15 | 88 (2) | O24—Bi25—Bi3vii | 91 (3) |
Bi17i—Bi3—Bi15 | 127.7 (2) | O14—Bi25—Bi3vii | 36 (3) |
Bi25iii—Bi3—Bi15 | 124.4 (2) | O33—Bi25—Bi3vii | 37 (4) |
O32—Bi4—O6 | 70 (5) | O23—Bi25—Bi3vii | 147.7 (19) |
O32—Bi4—O15v | 94 (5) | O59—Bi25—Bi3vii | 147 (2) |
O6—Bi4—O15v | 92 (3) | O58v—Bi25—Bi3vii | 101.4 (19) |
O32—Bi4—O20 | 67 (5) | O24—Bi25—Bi11v | 34 (3) |
O6—Bi4—O20 | 137 (3) | O14—Bi25—Bi11v | 48 (2) |
O15v—Bi4—O20 | 85 (3) | O33—Bi25—Bi11v | 71 (4) |
O32—Bi4—Bi18 | 36 (4) | O23—Bi25—Bi11v | 95.9 (19) |
O6—Bi4—Bi18 | 104.3 (18) | O59—Bi25—Bi11v | 110 (2) |
O15v—Bi4—Bi18 | 103.9 (19) | O58v—Bi25—Bi11v | 110 (2) |
O20—Bi4—Bi18 | 37 (2) | Bi3vii—Bi25—Bi11v | 64.7 (2) |
O32—Bi4—Bi24 | 34 (4) | O5—Bi26—O26i | 82 (2) |
O6—Bi4—Bi24 | 39.5 (18) | O5—Bi26—O7 | 80 (3) |
O15v—Bi4—Bi24 | 105.4 (19) | O26i—Bi26—O7 | 68 (2) |
O20—Bi4—Bi24 | 100 (2) | O5—Bi26—O11iv | 94 (3) |
Bi18—Bi4—Bi24 | 65.09 (18) | O26i—Bi26—O11iv | 60 (3) |
O23—Bi5—O16 | 83 (3) | O7—Bi26—O11iv | 127 (3) |
O23—Bi5—O27 | 87 (3) | O5—Bi26—O15 | 78 (3) |
O16—Bi5—O27 | 74 (3) | O26i—Bi26—O15 | 160 (2) |
O23—Bi5—O41 | 73 (4) | O7—Bi26—O15 | 109 (3) |
O16—Bi5—O41 | 155 (4) | O11iv—Bi26—O15 | 121 (3) |
O27—Bi5—O41 | 100 (4) | O5—Bi26—Bi27i | 100.4 (18) |
O23—Bi5—Bi9 | 97 (2) | O26i—Bi26—Bi27i | 33.2 (17) |
O16—Bi5—Bi9 | 39 (2) | O7—Bi26—Bi27i | 98.1 (19) |
O27—Bi5—Bi9 | 39 (2) | O11iv—Bi26—Bi27i | 31 (2) |
O41—Bi5—Bi9 | 138 (3) | O15—Bi26—Bi27i | 152.1 (18) |
O7—Bi6—O18 | 84 (3) | O5—Bi26—Bi2i | 95 (2) |
O7—Bi6—O28 | 84 (3) | O26i—Bi26—Bi2i | 38.3 (16) |
O18—Bi6—O28 | 70 (3) | O7—Bi26—Bi2i | 36 (2) |
O7—Bi6—O1 | 75 (3) | O11iv—Bi26—Bi2i | 94 (2) |
O18—Bi6—O1 | 111 (3) | O15—Bi26—Bi2i | 144.0 (18) |
O28—Bi6—O1 | 159 (3) | Bi27i—Bi26—Bi2i | 63.6 (2) |
O7—Bi6—Bi10 | 96 (2) | O5—Bi26—Bi12iv | 28.9 (19) |
O18—Bi6—Bi10 | 36.5 (18) | O26i—Bi26—Bi12iv | 110.5 (16) |
O28—Bi6—Bi10 | 37 (2) | O7—Bi26—Bi12iv | 95 (2) |
O1—Bi6—Bi10 | 147 (2) | O11iv—Bi26—Bi12iv | 103 (2) |
O31—Bi7—O21i | 93 (4) | O15—Bi26—Bi12iv | 49.4 (17) |
O31—Bi7—O36 | 156 (5) | Bi27i—Bi26—Bi12iv | 122.0 (2) |
O21i—Bi7—O36 | 66 (4) | Bi2i—Bi26—Bi12iv | 120.5 (2) |
O31—Bi7—O44i | 73 (4) | O11viii—Bi27—O26 | 75 (4) |
O21i—Bi7—O44i | 75 (3) | O11viii—Bi27—O20iv | 86 (4) |
O36—Bi7—O44i | 90 (4) | O26—Bi27—O20iv | 77 (3) |
O31—Bi7—O43 | 88 (4) | O11viii—Bi27—O52 | 147 (5) |
O21i—Bi7—O43 | 177 (3) | O26—Bi27—O52 | 72 (4) |
O36—Bi7—O43 | 112 (4) | O20iv—Bi27—O52 | 83 (5) |
O44i—Bi7—O43 | 102 (2) | O11viii—Bi27—Bi26ii | 42 (3) |
O22—Bi8—O12ii | 88 (3) | O26—Bi27—Bi26ii | 39.6 (18) |
O22—Bi8—O40 | 78 (3) | O20iv—Bi27—Bi26ii | 96 (3) |
O12ii—Bi8—O40 | 121 (3) | O52—Bi27—Bi26ii | 109 (4) |
O14—Bi9—O27 | 87 (3) | O31—Bi28—O19 | 84 (4) |
O14—Bi9—O16 | 79 (3) | O31—Bi28—O2 | 72 (4) |
O27—Bi9—O16 | 68 (3) | O19—Bi28—O2 | 88 (3) |
O14—Bi9—O13 | 88 (3) | O10i—Bi29—O46 | 84 (4) |
O27—Bi9—O13 | 61 (3) | O10i—Bi29—O1 | 83 (4) |
O16—Bi9—O13 | 128 (2) | O46—Bi29—O1 | 74 (4) |
O14—Bi9—O24ii | 70 (3) | O10i—Bi29—Bi30i | 29 (4) |
O27—Bi9—O24ii | 157 (3) | O46—Bi29—Bi30i | 110 (3) |
O16—Bi9—O24ii | 110 (3) | O1—Bi29—Bi30i | 100 (2) |
O13—Bi9—O24ii | 112 (3) | O1—Bi30—O10 | 83 (4) |
O14—Bi9—Bi5 | 93 (2) | O1—Bi30—O51 | 80 (4) |
O27—Bi9—Bi5 | 37 (2) | O10—Bi30—O51 | 79 (4) |
O16—Bi9—Bi5 | 34.4 (16) | O1—Bi30—O61 | 112 (3) |
O13—Bi9—Bi5 | 98.2 (15) | O10—Bi30—O61 | 76 (4) |
O24ii—Bi9—Bi5 | 144 (2) | O51—Bi30—O61 | 150 (3) |
O14—Bi9—Bi21 | 98 (2) | O1—Bi30—Bi29ii | 95 (3) |
O27—Bi9—Bi21 | 32 (2) | O10—Bi30—Bi29ii | 27 (3) |
O16—Bi9—Bi21 | 99.6 (16) | O51—Bi30—Bi29ii | 105 (2) |
O13—Bi9—Bi21 | 33.1 (16) | O61—Bi30—Bi29ii | 49.6 (18) |
O24ii—Bi9—Bi21 | 145 (2) | O34—S1—O35ix | 107 (6) |
Bi5—Bi9—Bi21 | 66.45 (16) | O34—S1—O36ii | 124 (7) |
O15—Bi10—O18 | 84 (3) | O35ix—S1—O36ii | 108 (5) |
O15—Bi10—O28 | 91 (3) | S1i—O36—Bi7 | 144 (8) |
O18—Bi10—O28 | 65 (3) | S1i—O36—Bi13i | 91 (5) |
O15—Bi10—O3 | 87 (3) | Bi7—O36—Bi13i | 95 (5) |
O18—Bi10—O3 | 129 (2) | O37—S2—O38 | 96 (8) |
O28—Bi10—O3 | 65 (3) | O37—S2—O39x | 138 (10) |
O15—Bi10—O5ii | 71 (3) | O38—S2—O39x | 124 (10) |
O18—Bi10—O5ii | 113 (2) | O37—S2—O40 | 99 (8) |
O28—Bi10—O5ii | 162 (2) | O38—S2—O40 | 92 (5) |
O3—Bi10—O5ii | 110 (2) | O39x—S2—O40 | 91 (10) |
O15—Bi10—Bi6 | 99 (2) | S2—O37—Bi14 | 103 (8) |
O18—Bi10—Bi6 | 33.8 (17) | S2ix—O39—Bi13 | 126 (10) |
O28—Bi10—Bi6 | 35 (2) | S2—O40—Bi8 | 145 (5) |
O3—Bi10—Bi6 | 99.8 (17) | O41ii—S3—O42ii | 85 (8) |
O5ii—Bi10—Bi6 | 147.2 (16) | O41ii—S3—O43 | 134 (7) |
O15—Bi10—Bi22 | 102 (2) | O42ii—S3—O43 | 107 (6) |
O18—Bi10—Bi22 | 99.1 (17) | O41ii—S3—O44 | 114 (7) |
O28—Bi10—Bi22 | 35 (2) | O42ii—S3—O44 | 105 (6) |
O3—Bi10—Bi22 | 35.4 (18) | O43—S3—O44 | 105 (4) |
O5ii—Bi10—Bi22 | 145.6 (16) | S3i—O41—O42 | 49 (6) |
Bi6—Bi10—Bi22 | 66.27 (15) | S3i—O41—Bi5 | 121 (8) |
O29—Bi11—O24iv | 87 (3) | O42—O41—Bi5 | 78 (6) |
O29—Bi11—O4 | 72 (3) | S3i—O42—O41 | 46 (6) |
O24iv—Bi11—O4 | 82 (3) | S3—O43—Bi7 | 133 (4) |
O29—Bi11—O8iv | 65 (3) | S3—O44—Bi7ii | 122 (4) |
O24iv—Bi11—O8iv | 91 (3) | S3—O44—Bi23 | 134 (4) |
O4—Bi11—O8iv | 137 (2) | Bi7ii—O44—Bi23 | 100 (3) |
O29—Bi11—O14iv | 153 (3) | O45—S4—O46 | 98 (8) |
O24iv—Bi11—O14iv | 68 (3) | S4—O46—Bi29 | 140 (6) |
O4—Bi11—O14iv | 109 (3) | O47—S5—O49 | 124 (8) |
O8iv—Bi11—O14iv | 107 (2) | O47—S5—O48 | 96 (6) |
O29—Bi11—Bi15 | 39 (2) | O49—S5—O48 | 97 (7) |
O24iv—Bi11—Bi15 | 96 (2) | O47—S5—O50x | 89 (6) |
O4—Bi11—Bi15 | 37.5 (17) | O49—S5—O50x | 139 (8) |
O8iv—Bi11—Bi15 | 102.2 (14) | O48—S5—O50x | 102 (7) |
O14iv—Bi11—Bi15 | 147 (2) | S5—O47—Bi16 | 116 (5) |
O29—Bi11—Bi19iv | 33 (2) | S5—O48—Bi14 | 132 (6) |
O24iv—Bi11—Bi19iv | 102 (2) | S5ix—O50—Bi21 | 135 (7) |
O4—Bi11—Bi19iv | 102.7 (17) | O51—S6—O52 | 110 (7) |
O8iv—Bi11—Bi19iv | 37.2 (14) | S6—O51—Bi30 | 144 (6) |
O14iv—Bi11—Bi19iv | 144 (2) | S6—O52—Bi27 | 170 (9) |
Bi15—Bi11—Bi19iv | 65.85 (15) | O53—As7—O54ii | 85 (5) |
O29—Bi11—Bi25iv | 117 (2) | S7i—O54—As7i | 0.0 (12) |
O24iv—Bi11—Bi25iv | 31 (2) | O55—S8—O56ix | 116 (6) |
O4—Bi11—Bi25iv | 95.8 (19) | O55—S8—O57 | 92 (6) |
O8iv—Bi11—Bi25iv | 99.5 (14) | O56ix—S8—O57 | 104 (5) |
O14iv—Bi11—Bi25iv | 36.9 (19) | S8—O55—Bi13 | 138 (7) |
Bi15—Bi11—Bi25iv | 122.8 (2) | S8x—O56—Bi22 | 155 (5) |
Bi19iv—Bi11—Bi25iv | 125.5 (2) | S8—O57—Bi19viii | 157 (5) |
O30—Bi12—O5v | 88 (3) | S8—O57—Bi15ii | 111 (5) |
O30—Bi12—O17 | 67 (3) | Bi19viii—O57—Bi15ii | 91 (2) |
O5v—Bi12—O17 | 89 (3) | O58v—As9—O59 | 76 (5) |
O30—Bi12—O9v | 67 (3) | S9iv—O58—As9iv | 0.0 (14) |
O5v—Bi12—O9v | 87 (3) | S9iv—O58—Bi17 | 144 (5) |
O17—Bi12—O9v | 134 (2) | As9iv—O58—Bi17 | 144 (5) |
O30—Bi12—Bi16i | 34 (3) | S9iv—O58—Bi25iv | 120 (5) |
O5v—Bi12—Bi16i | 100.8 (18) | As9iv—O58—Bi25iv | 120 (5) |
O17—Bi12—Bi16i | 36.6 (16) | Bi17—O58—Bi25iv | 90 (3) |
O9v—Bi12—Bi16i | 99.8 (14) | As9—O59—Bi1 | 126 (5) |
O30—Bi12—Bi20v | 36 (3) | As9—O59—Bi25 | 106 (4) |
O5v—Bi12—Bi20v | 98 (2) | Bi1—O59—Bi25 | 101 (4) |
O17—Bi12—Bi20v | 102.0 (16) | As10—O60—Bi18ii | 134 (9) |
O9v—Bi12—Bi20v | 34.0 (15) | As10—O60—Bi24ii | 127 (9) |
Bi16i—Bi12—Bi20v | 66.19 (15) | Bi18ii—O60—Bi24ii | 89 (4) |
O30—Bi12—Bi26v | 117 (3) | O62—S11—O61 | 93 (7) |
O5v—Bi12—Bi26v | 28.7 (19) | S11—O61—Bi30 | 103 (4) |
O17—Bi12—Bi26v | 96.0 (17) | Bi30—O1—Bi29 | 119 (5) |
O9v—Bi12—Bi26v | 101.5 (16) | Bi30—O1—Bi6 | 116 (4) |
Bi16i—Bi12—Bi26v | 121.60 (17) | Bi29—O1—Bi6 | 111 (4) |
Bi20v—Bi12—Bi26v | 123.2 (2) | Bi17—O2—Bi28 | 128 (4) |
O21—Bi13—O55 | 78 (4) | Bi17—O2—Bi23 | 115 (3) |
O21—Bi13—O39 | 150 (6) | Bi28—O2—Bi23 | 106 (3) |
O55—Bi13—O39 | 84 (6) | Bi22—O3—Bi20ii | 126 (4) |
O21—Bi13—O36ii | 68 (5) | Bi22—O3—Bi10 | 101 (3) |
O55—Bi13—O36ii | 140 (4) | Bi20ii—O3—Bi10 | 110 (3) |
O39—Bi13—O36ii | 135 (7) | Bi23—O4—Bi15 | 125 (4) |
O12—Bi14—O22 | 81 (3) | Bi23—O4—Bi11 | 122 (3) |
O12—Bi14—O48 | 77 (3) | Bi15—O4—Bi11 | 100 (3) |
O22—Bi14—O48 | 81 (3) | Bi26—O5—Bi12iv | 122 (3) |
O12—Bi14—O37 | 77 (4) | Bi26—O5—Bi10i | 114 (3) |
O22—Bi14—O37 | 95 (4) | Bi12iv—O5—Bi10i | 112 (3) |
O48—Bi14—O37 | 154 (4) | Bi16—O6—Bi4 | 123 (3) |
O25i—Bi15—O4 | 85 (3) | Bi16—O6—Bi24 | 124 (3) |
O25i—Bi15—O29 | 86 (4) | Bi4—O6—Bi24 | 105 (3) |
O4—Bi15—O29 | 74 (3) | Bi6—O7—Bi2i | 125 (4) |
O25i—Bi15—O57i | 92 (3) | Bi6—O7—Bi26 | 113 (3) |
O4—Bi15—O57i | 141 (3) | Bi2i—O7—Bi26 | 103 (3) |
O29—Bi15—O57i | 68 (3) | Bi21—O8—Bi19 | 131 (3) |
O25i—Bi15—Bi11 | 98 (3) | Bi21—O8—Bi11v | 116 (2) |
O4—Bi15—Bi11 | 42 (2) | Bi19—O8—Bi11v | 98 (2) |
O29—Bi15—Bi11 | 36.2 (19) | Bi20—O9—Bi22 | 134 (4) |
O57i—Bi15—Bi11 | 101.1 (19) | Bi20—O9—Bi12iv | 103 (3) |
O25i—Bi15—Bi3 | 36 (3) | Bi22—O9—Bi12iv | 113 (3) |
O4—Bi15—Bi3 | 51.2 (19) | Bi29ii—O10—Bi30 | 125 (6) |
O29—Bi15—Bi3 | 68 (2) | Bi29ii—O10—Bi2 | 110 (5) |
O57i—Bi15—Bi3 | 110.8 (18) | Bi30—O10—Bi2 | 116 (5) |
Bi11—Bi15—Bi3 | 65.48 (16) | Bi27vi—O11—Bi18 | 137 (5) |
O6—Bi16—O17ii | 78 (3) | Bi27vi—O11—Bi26v | 107 (5) |
O6—Bi16—O30ii | 85 (3) | Bi18—O11—Bi26v | 107 (4) |
O17ii—Bi16—O30ii | 69 (3) | Bi14—O12—Bi8i | 122 (3) |
O6—Bi16—O47 | 99 (3) | Bi14—O12—Bi24 | 113 (2) |
O17ii—Bi16—O47 | 145 (3) | Bi8i—O12—Bi24 | 114 (3) |
O30ii—Bi16—O47 | 76 (3) | Bi21—O13—Bi19ii | 125 (3) |
O6—Bi16—Bi12ii | 93 (2) | Bi21—O13—Bi9 | 108 (3) |
O17ii—Bi16—Bi12ii | 41.9 (19) | Bi19ii—O13—Bi9 | 113 (3) |
O30ii—Bi16—Bi12ii | 31 (2) | Bi25—O14—Bi3vii | 110 (4) |
O47—Bi16—Bi12ii | 104.3 (18) | Bi25—O14—Bi9 | 117 (4) |
O33iv—Bi17—O2 | 78 (5) | Bi3vii—O14—Bi9 | 121 (4) |
O33iv—Bi17—O19ii | 71 (5) | Bi25—O14—Bi11v | 95 (3) |
O2—Bi17—O19ii | 77 (3) | Bi3vii—O14—Bi11v | 102 (4) |
O33iv—Bi17—O58 | 73 (5) | Bi9—O14—Bi11v | 107 (4) |
O2—Bi17—O58 | 85 (3) | Bi10—O15—Bi4iv | 133 (4) |
O19ii—Bi17—O58 | 142 (3) | Bi10—O15—Bi26 | 113 (4) |
O33iv—Bi17—Bi3ii | 34 (4) | Bi4iv—O15—Bi26 | 104 (3) |
O2—Bi17—Bi3ii | 94 (2) | Bi5—O16—Bi1ii | 126 (4) |
O19ii—Bi17—Bi3ii | 46 (3) | Bi5—O16—Bi9 | 106 (3) |
O58—Bi17—Bi3ii | 103 (2) | Bi1ii—O16—Bi9 | 111 (3) |
O20—Bi18—O11 | 81 (4) | Bi24—O17—Bi16i | 126 (4) |
O20—Bi18—O32 | 69 (5) | Bi24—O17—Bi12 | 118 (3) |
O11—Bi18—O32 | 89 (5) | Bi16i—O17—Bi12 | 101 (3) |
O20—Bi18—O60i | 138 (4) | Bi6—O18—Bi2 | 125 (3) |
O11—Bi18—O60i | 85 (4) | Bi6—O18—Bi10 | 110 (3) |
O32—Bi18—O60i | 71 (5) | Bi2—O18—Bi10 | 113 (3) |
O20—Bi18—Bi4 | 42 (3) | Bi28—O19—Bi17i | 130 (5) |
O11—Bi18—Bi4 | 100 (3) | Bi28—O19—Bi3 | 113 (4) |
O32—Bi18—Bi4 | 32 (4) | Bi17i—O19—Bi3 | 97 (4) |
O60i—Bi18—Bi4 | 103 (3) | Bi28—O19—Bi23i | 117 (4) |
O29v—Bi19—O13i | 81 (3) | Bi17i—O19—Bi23i | 102 (3) |
O29v—Bi19—O8 | 73 (3) | Bi3—O19—Bi23i | 89 (3) |
O13i—Bi19—O8 | 84 (2) | Bi27v—O20—Bi18 | 128 (5) |
O29v—Bi19—O57vi | 71 (3) | Bi27v—O20—Bi4 | 114 (4) |
O13i—Bi19—O57vi | 90 (3) | Bi18—O20—Bi4 | 101 (4) |
O8—Bi19—O57vi | 144 (2) | Bi13—O21—Bi7ii | 131 (6) |
O29v—Bi19—Bi11v | 34 (2) | Bi8—O22—Bi14 | 130 (4) |
O13i—Bi19—Bi11v | 96.0 (18) | Bi5—O23—Bi1 | 124 (4) |
O8—Bi19—Bi11v | 44.7 (16) | Bi5—O23—Bi25 | 111 (3) |
O57vi—Bi19—Bi11v | 101.5 (17) | Bi1—O23—Bi25 | 110 (3) |
O9—Bi20—O3i | 90 (3) | Bi25—O24—Bi11v | 116 (4) |
O9—Bi20—O30iv | 71 (3) | Bi25—O24—Bi3v | 120 (4) |
O3i—Bi20—O30iv | 85 (3) | Bi11v—O24—Bi3v | 109 (4) |
O9—Bi20—Bi12iv | 43 (2) | Bi25—O24—Bi9i | 113 (4) |
O3i—Bi20—Bi12iv | 97 (2) | Bi11v—O24—Bi9i | 103 (3) |
O30iv—Bi20—Bi12iv | 31 (2) | Bi3v—O24—Bi9i | 94 (3) |
O8—Bi21—O27 | 85 (3) | Bi15ii—O25—Bi3ii | 112 (4) |
O8—Bi21—O13 | 86 (3) | Bi15ii—O25—Bi23 | 125 (5) |
O27—Bi21—O13 | 71 (3) | Bi3ii—O25—Bi23 | 107 (4) |
O8—Bi21—O50 | 96 (4) | Bi27—O26—Bi2 | 122 (3) |
O27—Bi21—O50 | 144 (4) | Bi27—O26—Bi26ii | 107 (3) |
O13—Bi21—O50 | 74 (4) | Bi2—O26—Bi26ii | 101 (2) |
O8—Bi21—Bi9 | 97.9 (17) | Bi21—O27—Bi5 | 134 (4) |
O27—Bi21—Bi9 | 36 (2) | Bi21—O27—Bi9 | 112 (4) |
O13—Bi21—Bi9 | 39 (2) | Bi5—O27—Bi9 | 104 (3) |
O50—Bi21—Bi9 | 109 (3) | Bi22—O28—Bi6 | 131 (4) |
O9—Bi22—O3 | 81 (3) | Bi22—O28—Bi10 | 108 (3) |
O9—Bi22—O28 | 87 (3) | Bi6—O28—Bi10 | 108 (3) |
O3—Bi22—O28 | 74 (3) | Bi19iv—O29—Bi11 | 113 (4) |
O9—Bi22—O56 | 76 (3) | Bi19iv—O29—Bi15 | 123 (4) |
O3—Bi22—O56 | 69 (3) | Bi11—O29—Bi15 | 105 (3) |
O28—Bi22—O56 | 142 (3) | Bi12—O30—Bi16i | 114 (4) |
O9—Bi22—Bi10 | 98.9 (19) | Bi12—O30—Bi20v | 112 (4) |
O3—Bi22—Bi10 | 43 (2) | Bi16i—O30—Bi20v | 120 (4) |
O28—Bi22—Bi10 | 37 (2) | Bi28—O31—Bi7 | 130 (7) |
O56—Bi22—Bi10 | 111.4 (19) | Bi28—O31—Bi23 | 110 (5) |
O4—Bi23—O25 | 76 (3) | Bi7—O31—Bi23 | 106 (5) |
O4—Bi23—O31 | 80 (4) | Bi4—O32—Bi18 | 111 (7) |
O25—Bi23—O31 | 156 (4) | Bi4—O32—Bi24 | 116 (7) |
O4—Bi23—O2 | 86 (3) | Bi18—O32—Bi24 | 118 (7) |
O25—Bi23—O2 | 115 (3) | Bi17v—O33—Bi3vii | 118 (7) |
O31—Bi23—O2 | 62 (4) | Bi17v—O33—Bi25 | 122 (7) |
O4—Bi23—O44 | 161 (3) | Bi3vii—O33—Bi25 | 101 (6) |
Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z; (iii) x+1, y−1, z; (iv) x, y−1, z; (v) x, y+1, z; (vi) x+1, y+1, z; (vii) x−1, y+1, z; (viii) x−1, y−1, z; (ix) x, y, z−1; (x) x, y, z+1. |
Experimental details
(I) | (II) | |
Crystal data | ||
Chemical formula | Bi14O36S5 | As2Bi30O77S9 |
Mr | 3630.02 | 7939.87 |
Crystal system, space group | Monoclinic, C2 | Triclinic, P1 |
Temperature (K) | 293 | 293 |
a, b, c (Å) | 21.658 (4), 5.6648 (9), 15.092 (3) | 5.670 (3), 13.9408 (9), 22.7908 (18) |
α, β, γ (°) | 90, 119.433 (11), 90 | 80.903 (5), 82.854 (14), 78.27 (2) |
V (Å3) | 1612.7 (5) | 1733.8 (10) |
Z | 2 | 4 |
Radiation type | Mo Kα | Mo Kα |
µ (mm−1) | 76.52 | 76.27 |
Crystal size (mm) | 0.53 × 0.04 × 0.02 | 0.22 × 0.01 × 0.01 |
Data collection | ||
Diffractometer | Bruker AXS X8 APEX2 with 2K-CCD detector diffractometer | Bruker AXS X8 APEX2 with 2K-CCD detector diffractometer |
Absorption correction | Numerical - needle program WinGX (Farrugia, 2012) | Numerical - needle program WinGX (Farrugia, 2012) |
Tmin, Tmax | 0.062, 0.309 | 0.355, 0.474 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 5991, 3034, 2234 | 11765, 10496, 4123 |
Rint | 0.057 | 0.047 |
(sin θ/λ)max (Å−1) | 0.626 | 0.714 |
Refinement | ||
R[F2 > 2σ(F2)], wR(F2), S | 0.124, 0.342, 1.19 | 0.119, 0.374, 0.97 |
No. of reflections | 3034 | 10496 |
No. of parameters | 143 | 567 |
No. of restraints | 10 | 3 |
w = 1/[σ2(Fo2) + (0.1584P)2 + 1159.5515P] where P = (Fo2 + 2Fc2)/3 | w = 1/[σ2(Fo2) + (0.1967P)2] where P = (Fo2 + 2Fc2)/3 | |
Δρmax, Δρmin (e Å−3) | 5.84, −5.21 | 21.57, −4.61 |
Absolute structure | Flack H D (1983), Acta Cryst. A39, 876-881 | Flack H D (1983), Acta Cryst. A39, 876-881 |
Absolute structure parameter | 0.72 (11) | 0.00 (5) |
Computer programs: SAINT-IRIX (Bruker, 2003), SIR 2014 (Burla et al., 2014), SHELXL97 (Sheldrick, 1997).