research papers
The crystal structures of 222- and 221-polybasite [(Ag,Cu)16(Sb,As)2S11] crystals have been solved and refined by means of X-ray diffraction data (collected at 100 and 120 K, respectively) from twinned crystals. Both structures consist of the stacking of [(Ag,Cu)6Sb2S7]2− and [Ag9CuS4]2+ module layers in which Sb forms isolated SbS3 pyramids typically occurring in sulfosalts; copper links two S atoms in a linear coordination and silver occupies sites with coordination ranging from quasi-linear to almost tetrahedral. An Ag → Cu substitution in the [(Ag,Cu)6Sb2S7]2− module layer is observed in both structures, the substitution amount being larger in the 221- than in the 222-polybasite. A pattern of the possible mechanism regulating the type of unit cell that is stabilized is proposed: starting from the hypothetical stoichiometric and fully ordered Ag15CuSb2S11 222-polybasite structure, with a low C2/c monoclinic symmetry and a large 222 supercell, the disorder introduced by the substitution of Cu for Ag increases the symmetry with a cell reduction along the c axis yielding the 221 supercell and a trigonal crystal system. A further increase of the substitution gives rise to a folding of the cell along the a and b axes and the 111-pearceite structure, space group .
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S010876810600975X/lc5045sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S010876810600975X/lc5045polybasite221sup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S010876810600975X/lc5045polybasite222sup3.hkl |
Computing details top
For both compounds, program(s) used to refine structure: (Jana2000; Petricek and Dusek, 2000); software used to prepare material for publication: (Jana2000; Petricek and Dusek, 2000).
(polybasite221) top
Crystal data top
Ag14.52Cu1.48S11Sb2 | Dx = 6.390 Mg m−3 |
Mr = 2256.5 | Mo Kα radiation, λ = 0.71069 Å |
Trigonal, P321 | Cell parameters from 162 reflections |
Hall symbol: P 3;2" | θ = 6.4–35° |
a = 15.0954 (12) Å | µ = 16.32 mm−1 |
c = 11.8825 (8) Å | T = 120 K |
V = 2344.9 (3) Å3 | Block, black |
Z = 4 | 0.14 × 0.08 × 0.06 mm |
F(000) = 4013 |
Data collection top
Nonius CCD diffractometer | Rint = 0.063 |
ω, ϕ scans | θmax = 35.0°, θmin = 6.4° |
Absorption correction: gaussian (Jana2000; Petricek, Dusek & Palatinus, 2000) | h = −24→24 |
Tmin = 0.196, Tmax = 0.417 | k = −24→24 |
6847 independent reflections | l = −19→19 |
6224 reflections with I > 2σ(I) |
Refinement top
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.000484F2) |
R[F2 > 2σ(F2)] = 0.036 | (Δ/σ)max = 0.001 |
wR(F2) = 0.046 | Δρmax = 1.05 e Å−3 |
S = 1.41 | Δρmin = −0.81 e Å−3 |
6847 reflections | Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974) |
224 parameters | Extinction coefficient: 0.108 (16) |
Crystal data top
Ag14.52Cu1.48S11Sb2 | Z = 4 |
Mr = 2256.5 | Mo Kα radiation |
Trigonal, P321 | µ = 16.32 mm−1 |
a = 15.0954 (12) Å | T = 120 K |
c = 11.8825 (8) Å | 0.14 × 0.08 × 0.06 mm |
V = 2344.9 (3) Å3 |
Data collection top
Nonius CCD diffractometer | 6847 independent reflections |
Absorption correction: gaussian (Jana2000; Petricek, Dusek & Palatinus, 2000) | 6224 reflections with I > 2σ(I) |
Tmin = 0.196, Tmax = 0.417 | Rint = 0.063 |
Refinement top
R[F2 > 2σ(F2)] = 0.036 | 224 parameters |
wR(F2) = 0.046 | Δρmax = 1.05 e Å−3 |
S = 1.41 | Δρmin = −0.81 e Å−3 |
6847 reflections |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Sb1 | 0.333333 | 0.666667 | 0.08748 (6) | 0.01292 (16) | |
Sb2 | 0.33285 (3) | 0.15587 (3) | 0.08778 (3) | 0.01123 (13) | |
Ag1 | 0.36661 (4) | 0.42990 (4) | 0.10137 (5) | 0.01845 (18) | |
Ag2 | 0.09007 (5) | 0.42358 (5) | 0.14418 (6) | 0.0247 (3) | 0.785 (10) |
Ag2cu | 0.090066 | 0.423581 | 0.144176 | 0.0247 (3) | 0.215 (10) |
Ag3 | 0.07708 (13) | 0.14671 (14) | 0.12156 (13) | 0.0403 (4) | 0.895 (11) |
Ag3cu | 0.077083 | 0.146706 | 0.121558 | 0.0403 (4) | 0.105 (11) |
Ag4 | 0.56682 (5) | 0.41741 (4) | 0.11845 (5) | 0.02131 (19) | |
Ag5 | 0.34923 (5) | 0.55037 (5) | 0.39194 (5) | 0.0234 (2) | |
Ag6 | 0.27335 (11) | 0.07446 (10) | 0.39259 (10) | 0.0244 (2) | |
Ag7 | 0.13137 (5) | 0.17613 (4) | 0.37640 (5) | 0.0260 (2) | |
Ag8 | 0.52806 (15) | 0.16567 (11) | 0.37649 (11) | 0.0393 (3) | |
Ag9 | 0.09891 (5) | 0.41993 (4) | 0.39861 (5) | 0.0215 (2) | |
Ag10 | 0.37973 (15) | 0.30736 (10) | 0.36194 (11) | 0.0400 (3) | |
Cu1 | 0 | 0.51322 (7) | 0.5 | 0.0121 (3) | |
Cu2 | 0 | 0 | 0.5 | 0.0153 (5) | |
S1 | 0.26964 (13) | 0.50882 (12) | 0.19090 (13) | 0.0137 (5) | |
S2 | −0.00297 (12) | 0.24192 (14) | 0.20453 (13) | 0.0166 (5) | |
S3 | 0.26011 (14) | 0.24957 (14) | 0.17635 (13) | 0.0149 (6) | |
S4 | 0.48834 (13) | 0.24179 (13) | 0.19616 (14) | 0.0150 (5) | |
S5 | 0.49297 (11) | 0.50299 (11) | 0.31858 (11) | 0.0110 (5) | |
S6 | 0 | 0 | 0.3189 (2) | 0.0101 (5) | |
S7 | 0.20146 (12) | 0.34647 (12) | 0.46132 (12) | 0.0121 (5) | |
S8 | 0.333333 | 0.666667 | 0.5400 (2) | 0.0102 (5) | |
S9 | 0.53714 (18) | 0.53714 (18) | 0 | 0.0335 (8) | |
S10 | 0.0323 (6) | 0.0323 (6) | 0 | 0.050 (3) | 0.3333 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Sb1 | 0.0137 (2) | 0.0137 (2) | 0.0113 (3) | 0.00687 (10) | 0 | 0 |
Sb2 | 0.01299 (19) | 0.01127 (15) | 0.01014 (14) | 0.00659 (14) | 0.00027 (12) | −0.00019 (11) |
Ag1 | 0.0181 (2) | 0.0194 (2) | 0.0193 (2) | 0.0105 (2) | 0.00089 (16) | −0.00345 (18) |
Ag2 | 0.0138 (3) | 0.0230 (4) | 0.0316 (3) | 0.0048 (2) | −0.0045 (2) | −0.0058 (2) |
Ag2cu | 0.0138 (3) | 0.0230 (4) | 0.0316 (3) | 0.0048 (2) | −0.0045 (2) | −0.0058 (2) |
Ag3 | 0.0288 (4) | 0.0515 (6) | 0.0477 (5) | 0.0255 (4) | 0.0144 (3) | 0.0267 (4) |
Ag3cu | 0.0288 (4) | 0.0515 (6) | 0.0477 (5) | 0.0255 (4) | 0.0144 (3) | 0.0267 (4) |
Ag4 | 0.0193 (3) | 0.0160 (2) | 0.0216 (2) | 0.0035 (2) | 0.00119 (19) | 0.00045 (18) |
Ag5 | 0.0232 (3) | 0.0263 (3) | 0.0216 (2) | 0.0131 (2) | −0.00162 (19) | −0.0077 (2) |
Ag6 | 0.0368 (3) | 0.0220 (3) | 0.0172 (2) | 0.0168 (3) | −0.0034 (2) | −0.00234 (18) |
Ag7 | 0.0350 (3) | 0.0117 (2) | 0.0220 (2) | 0.0046 (2) | −0.0083 (2) | 0.00048 (19) |
Ag8 | 0.0769 (6) | 0.0152 (3) | 0.0165 (3) | 0.0160 (3) | −0.0053 (3) | 0.0005 (2) |
Ag9 | 0.0273 (3) | 0.0215 (3) | 0.0245 (2) | 0.0187 (2) | −0.0080 (2) | −0.00499 (19) |
Ag10 | 0.0683 (6) | 0.0127 (2) | 0.0174 (2) | 0.0040 (3) | −0.0015 (3) | 0.00146 (19) |
Cu1 | 0.0155 (5) | 0.0136 (3) | 0.0077 (4) | 0.0078 (3) | −0.0011 (3) | −0.00057 (17) |
Cu2 | 0.0185 (6) | 0.0185 (6) | 0.0088 (7) | 0.0092 (3) | 0 | 0 |
S1 | 0.0146 (7) | 0.0115 (7) | 0.0160 (6) | 0.0073 (6) | −0.0001 (5) | −0.0009 (5) |
S2 | 0.0110 (6) | 0.0227 (8) | 0.0160 (6) | 0.0084 (6) | 0.0006 (5) | 0.0013 (6) |
S3 | 0.0191 (8) | 0.0170 (8) | 0.0138 (6) | 0.0130 (6) | 0.0022 (5) | 0.0018 (5) |
S4 | 0.0111 (6) | 0.0114 (6) | 0.0218 (7) | 0.0050 (5) | −0.0013 (5) | 0.0008 (5) |
S5 | 0.0135 (6) | 0.0109 (6) | 0.0086 (5) | 0.0061 (5) | 0.0007 (4) | 0.0012 (4) |
S6 | 0.0108 (6) | 0.0108 (6) | 0.0087 (9) | 0.0054 (3) | 0 | 0 |
S7 | 0.0162 (6) | 0.0118 (6) | 0.0102 (5) | 0.0085 (5) | −0.0030 (4) | −0.0014 (5) |
S8 | 0.0099 (6) | 0.0099 (6) | 0.0107 (9) | 0.0050 (3) | 0 | 0 |
S9 | 0.0265 (9) | 0.0265 (9) | 0.0219 (12) | −0.0058 (11) | −0.0102 (6) | 0.0102 (6) |
S10 | 0.039 (4) | 0.039 (4) | 0.027 (4) | −0.014 (4) | −0.020 (3) | 0.020 (3) |
Geometric parameters (Å, º) top
Sb1—S1 | 2.4127 (17) | Ag4—S4vi | 2.609 (2) |
Sb1—S1i | 2.4127 (16) | Ag4—S9 | 2.502 (3) |
Sb1—S1ii | 2.413 (3) | Ag5—Cu1i | 2.9790 (14) |
Sb2—S2iii | 2.4392 (15) | Ag5—S1 | 2.6058 (17) |
Sb2—S3 | 2.422 (3) | Ag5—S5 | 2.744 (2) |
Sb2—S4 | 2.4095 (16) | Ag5—S7 | 2.8747 (14) |
Ag1—Ag1iv | 2.9227 (9) | Ag5—S8 | 2.5800 (18) |
Ag1—S1 | 2.537 (2) | Ag6—S2iii | 2.425 (2) |
Ag1—S3 | 2.5324 (18) | Ag6—S7vii | 2.4065 (18) |
Ag1—S9 | 2.556 (2) | Ag7—Cu2 | 2.8083 (5) |
Ag2—Ag2cu | 0 | Ag7—S3 | 2.9156 (17) |
Ag2—S1 | 2.4133 (18) | Ag7—S6 | 2.4891 (8) |
Ag2—S2 | 2.4810 (19) | Ag7—S7 | 2.4552 (17) |
Ag2—S5ii | 2.977 (2) | Ag8—Cu1vii | 2.8103 (18) |
Ag2—S9ii | 2.437 (3) | Ag8—S4 | 2.638 (3) |
Ag2cu—S1 | 2.4133 (17) | Ag8—S5viii | 2.546 (3) |
Ag2cu—S2 | 2.4810 (18) | Ag8—S8vii | 2.5442 (16) |
Ag2cu—S5ii | 2.977 (2) | Ag9—Cu1 | 2.7868 (11) |
Ag2cu—S9ii | 2.437 (3) | Ag9—S5ii | 2.490 (3) |
Ag3—Ag3cu | 0 | Ag9—S7 | 2.429 (2) |
Ag3—S2 | 2.497 (3) | Ag10—Cu1i | 2.8743 (15) |
Ag3—S3 | 2.486 (2) | Ag10—S3 | 2.704 (2) |
Ag3—S10 | 2.088 (6) | Ag10—S5 | 2.6192 (18) |
Ag3—S10v | 2.462 (8) | Ag10—S7vii | 2.533 (2) |
Ag3—S10iii | 2.756 (7) | Cu1—S5ii | 2.1663 (13) |
Ag3cu—S2 | 2.497 (2) | Cu1—S5ix | 2.1663 (13) |
Ag3cu—S3 | 2.4855 (17) | Cu2—S6 | 2.152 (2) |
Ag3cu—S10 | 2.088 (6) | Cu2—S6vii | 2.152 (2) |
Ag3cu—S10v | 2.462 (8) | S10—S10v | 0.844 (11) |
Ag3cu—S10iii | 2.756 (7) | S10—S10iii | 0.844 (11) |
Ag4—S4 | 2.4786 (18) | ||
S1—Sb1—S1i | 96.37 (7) | Ag1—S3—Ag3cu | 119.29 (9) |
S1—Sb1—S1ii | 96.37 (7) | Ag1—S3—Ag7 | 129.77 (9) |
S1i—Sb1—S1 | 96.37 (7) | Ag1—S3—Ag10 | 88.71 (5) |
S1i—Sb1—S1ii | 96.37 (8) | Ag3—S3—Ag3cu | 0 |
S1ii—Sb1—S1 | 96.37 (7) | Ag3—S3—Ag7 | 69.80 (6) |
S1ii—Sb1—S1i | 96.37 (8) | Ag3—S3—Ag10 | 140.33 (8) |
S2iii—Sb2—S3 | 96.56 (7) | Ag3cu—S3—Ag7 | 69.80 (4) |
S2iii—Sb2—S4 | 97.37 (7) | Ag3cu—S3—Ag10 | 140.33 (7) |
S3—Sb2—S4 | 93.30 (7) | Ag7—S3—Ag10 | 70.63 (5) |
Ag1iv—Ag1—S1 | 149.18 (5) | Sb2—S4—Ag4 | 101.11 (7) |
Ag1iv—Ag1—S3 | 94.25 (5) | Sb2—S4—Ag4viii | 99.67 (6) |
Ag1iv—Ag1—S9 | 55.12 (5) | Sb2—S4—Ag8 | 124.89 (7) |
S1—Ag1—S3 | 98.74 (6) | Ag4—S4—Ag4viii | 110.07 (6) |
S1—Ag1—S9 | 122.35 (8) | Ag4—S4—Ag8 | 132.63 (7) |
S3—Ag1—S9 | 138.06 (10) | Ag4viii—S4—Ag4 | 110.07 (6) |
Ag2cu—Ag2—S1 | 0 | Ag4viii—S4—Ag8 | 75.59 (8) |
Ag2cu—Ag2—S2 | 0 | Ag2i—S5—Ag2cui | 0 |
Ag2cu—Ag2—S5ii | 0 | Ag2i—S5—Ag5 | 93.84 (6) |
Ag2cu—Ag2—S9ii | 0 | Ag2i—S5—Ag8vi | 107.12 (6) |
S1—Ag2—S2 | 112.77 (7) | Ag2i—S5—Ag9i | 66.58 (4) |
S1—Ag2—S5ii | 101.51 (6) | Ag2i—S5—Ag10 | 147.00 (6) |
S1—Ag2—S9ii | 130.28 (7) | Ag2i—S5—Cu1i | 139.71 (6) |
S2—Ag2—S5ii | 98.12 (6) | Ag2cui—S5—Ag5 | 93.84 (6) |
S2—Ag2—S9ii | 113.31 (7) | Ag2cui—S5—Ag8vi | 107.12 (6) |
S5ii—Ag2—S9ii | 89.57 (8) | Ag2cui—S5—Ag9i | 66.58 (4) |
Ag2—Ag2cu—S1 | 0 | Ag2cui—S5—Ag10 | 147.00 (6) |
Ag2—Ag2cu—S2 | 0 | Ag2cui—S5—Cu1i | 139.71 (6) |
Ag2—Ag2cu—S5ii | 0 | Ag5—S5—Ag8vi | 145.55 (6) |
Ag2—Ag2cu—S9ii | 0 | Ag5—S5—Ag9i | 70.43 (5) |
S1—Ag2cu—S2 | 112.77 (6) | Ag5—S5—Ag10 | 94.36 (7) |
S1—Ag2cu—S5ii | 101.51 (6) | Ag5—S5—Cu1i | 73.64 (6) |
S1—Ag2cu—S9ii | 130.28 (7) | Ag8vi—S5—Ag9i | 92.82 (6) |
S2—Ag2cu—S5ii | 98.12 (5) | Ag8vi—S5—Ag10 | 82.85 (8) |
S2—Ag2cu—S9ii | 113.31 (7) | Ag8vi—S5—Cu1i | 72.71 (7) |
S5ii—Ag2cu—S9ii | 89.57 (8) | Ag9i—S5—Ag10 | 145.76 (6) |
Ag3cu—Ag3—S2 | 0 | Ag9i—S5—Cu1i | 73.16 (5) |
Ag3cu—Ag3—S3 | 0 | Ag10—S5—Cu1i | 73.14 (5) |
Ag3cu—Ag3—S10 | 0 | Ag7—S6—Ag7v | 112.77 (5) |
Ag3cu—Ag3—S10v | 0 | Ag7—S6—Ag7iii | 112.77 (5) |
Ag3cu—Ag3—S10iii | 0 | Ag7—S6—Cu2 | 74.08 (5) |
S2—Ag3—S3 | 104.11 (9) | Ag7v—S6—Ag7 | 112.77 (5) |
S2—Ag3—S10 | 134.4 (3) | Ag7v—S6—Ag7iii | 112.77 (5) |
S2—Ag3—S10v | 116.7 (3) | Ag7v—S6—Cu2 | 74.08 (5) |
S2—Ag3—S10iii | 133.0 (3) | Ag7iii—S6—Ag7 | 112.77 (5) |
S3—Ag3—S10 | 119.8 (3) | Ag7iii—S6—Ag7v | 112.77 (5) |
S3—Ag3—S10v | 138.7 (3) | Ag7iii—S6—Cu2 | 74.08 (6) |
S3—Ag3—S10iii | 122.8 (3) | Ag5—S7—Ag6vii | 135.37 (8) |
S10—Ag3—S10v | 19.2 (3) | Ag5—S7—Ag7 | 134.50 (6) |
S10—Ag3—S10iii | 12.33 (17) | Ag5—S7—Ag9 | 75.74 (5) |
S10v—Ag3—S10 | 19.2 (3) | Ag5—S7—Ag10vii | 87.16 (5) |
S10v—Ag3—S10iii | 17.5 (4) | Ag6vii—S7—Ag7 | 89.36 (6) |
S10iii—Ag3—S10 | 12.33 (17) | Ag6vii—S7—Ag9 | 83.53 (8) |
S10iii—Ag3—S10v | 17.5 (4) | Ag6vii—S7—Ag10vii | 76.82 (6) |
Ag3—Ag3cu—S2 | 0 | Ag7—S7—Ag9 | 108.23 (6) |
Ag3—Ag3cu—S3 | 0 | Ag7—S7—Ag10vii | 116.56 (9) |
Ag3—Ag3cu—S10 | 0 | Ag9—S7—Ag10vii | 130.32 (9) |
Ag3—Ag3cu—S10v | 0 | Ag5—S8—Ag5i | 78.60 (7) |
Ag3—Ag3cu—S10iii | 0 | Ag5—S8—Ag5ii | 78.60 (7) |
S2—Ag3cu—S3 | 104.11 (6) | Ag5—S8—Ag8vii | 95.68 (5) |
S2—Ag3cu—S10 | 134.4 (3) | Ag5—S8—Ag8xii | 77.54 (5) |
S2—Ag3cu—S10v | 116.7 (3) | Ag5—S8—Ag8ix | 156.13 (8) |
S2—Ag3cu—S10iii | 133.0 (3) | Ag5i—S8—Ag5 | 78.60 (7) |
S3—Ag3cu—S10 | 119.8 (3) | Ag5i—S8—Ag5ii | 78.61 (6) |
S3—Ag3cu—S10v | 138.7 (3) | Ag5i—S8—Ag8vii | 156.13 (8) |
S3—Ag3cu—S10iii | 122.8 (3) | Ag5i—S8—Ag8xii | 95.68 (4) |
S10—Ag3cu—S10v | 19.2 (3) | Ag5i—S8—Ag8ix | 77.54 (4) |
S10—Ag3cu—S10iii | 12.33 (17) | Ag5ii—S8—Ag5 | 78.60 (7) |
S10v—Ag3cu—S10 | 19.2 (3) | Ag5ii—S8—Ag5i | 78.61 (6) |
S10v—Ag3cu—S10iii | 17.5 (4) | Ag5ii—S8—Ag8vii | 77.54 (4) |
S10iii—Ag3cu—S10 | 12.33 (17) | Ag5ii—S8—Ag8xii | 156.13 (9) |
S10iii—Ag3cu—S10v | 17.5 (4) | Ag5ii—S8—Ag8ix | 95.68 (6) |
S4—Ag4—S4vi | 105.05 (7) | Ag8vii—S8—Ag8xii | 105.78 (8) |
S4—Ag4—S9 | 145.08 (7) | Ag8vii—S8—Ag8ix | 105.78 (9) |
S4vi—Ag4—S4 | 105.05 (7) | Ag8xii—S8—Ag8vii | 105.78 (8) |
S4vi—Ag4—S9 | 109.86 (7) | Ag8xii—S8—Ag8ix | 105.78 (10) |
Cu1i—Ag5—S1 | 129.00 (6) | Ag8ix—S8—Ag8vii | 105.78 (9) |
Cu1i—Ag5—S5 | 44.25 (3) | Ag8ix—S8—Ag8xii | 105.78 (10) |
Cu1i—Ag5—S7 | 79.87 (5) | Ag1—S9—Ag1iv | 69.75 (5) |
Cu1i—Ag5—S8 | 104.02 (4) | Ag1—S9—Ag2i | 86.60 (6) |
S1—Ag5—S5 | 88.60 (6) | Ag1—S9—Ag2xiii | 156.35 (9) |
S1—Ag5—S7 | 89.29 (4) | Ag1—S9—Ag2cui | 86.60 (6) |
S1—Ag5—S8 | 126.90 (7) | Ag1—S9—Ag2cuxiii | 156.35 (9) |
S5—Ag5—S7 | 95.93 (5) | Ag1—S9—Ag4 | 76.39 (5) |
S5—Ag5—S8 | 138.47 (4) | Ag1—S9—Ag4iv | 77.85 (8) |
S7—Ag5—S8 | 104.28 (5) | Ag1iv—S9—Ag1 | 69.75 (5) |
S2iii—Ag6—S7vii | 158.12 (7) | Ag1iv—S9—Ag2i | 156.35 (9) |
Cu2—Ag7—S3 | 143.83 (5) | Ag1iv—S9—Ag2xiii | 86.60 (6) |
Cu2—Ag7—S6 | 47.46 (5) | Ag1iv—S9—Ag2cui | 156.35 (9) |
Cu2—Ag7—S7 | 120.47 (4) | Ag1iv—S9—Ag2cuxiii | 86.60 (6) |
S3—Ag7—S6 | 101.89 (6) | Ag1iv—S9—Ag4 | 77.85 (8) |
S3—Ag7—S7 | 94.62 (5) | Ag1iv—S9—Ag4iv | 76.39 (5) |
S6—Ag7—S7 | 158.03 (6) | Ag2i—S9—Ag2xiii | 117.05 (8) |
Cu1vii—Ag8—S4 | 151.33 (6) | Ag2i—S9—Ag2cui | 0 |
Cu1vii—Ag8—S5viii | 47.39 (5) | Ag2i—S9—Ag2cuxiii | 117.05 (8) |
Cu1vii—Ag8—S8vii | 109.97 (7) | Ag2i—S9—Ag4 | 97.10 (4) |
S4—Ag8—S5viii | 105.70 (7) | Ag2i—S9—Ag4iv | 99.22 (12) |
S4—Ag8—S8vii | 97.84 (7) | Ag2xiii—S9—Ag2i | 117.05 (8) |
S5viii—Ag8—S8vii | 140.63 (11) | Ag2xiii—S9—Ag2cui | 117.05 (8) |
Cu1—Ag9—S5ii | 48.07 (4) | Ag2xiii—S9—Ag2cuxiii | 0 |
Cu1—Ag9—S7 | 136.30 (4) | Ag2xiii—S9—Ag4 | 99.22 (12) |
S5ii—Ag9—S7 | 173.36 (5) | Ag2xiii—S9—Ag4iv | 97.10 (4) |
Cu1i—Ag10—S3 | 137.70 (9) | Ag2cui—S9—Ag2cuxiii | 117.05 (8) |
Cu1i—Ag10—S5 | 46.16 (4) | Ag2cui—S9—Ag4 | 97.10 (3) |
Cu1i—Ag10—S7vii | 87.83 (5) | Ag2cui—S9—Ag4iv | 99.22 (12) |
S3—Ag10—S5 | 99.06 (7) | Ag2cuxiii—S9—Ag2cui | 117.05 (8) |
S3—Ag10—S7vii | 125.66 (7) | Ag2cuxiii—S9—Ag4 | 99.22 (12) |
S5—Ag10—S7vii | 133.35 (7) | Ag2cuxiii—S9—Ag4iv | 97.10 (3) |
Ag5ii—Cu1—Ag5ix | 158.40 (5) | Ag4—S9—Ag4iv | 148.46 (9) |
Ag5ii—Cu1—Ag8v | 121.57 (3) | Ag4iv—S9—Ag4 | 148.46 (9) |
Ag5ii—Cu1—Ag8vii | 67.25 (3) | Ag3—S10—Ag3v | 85.5 (2) |
Ag5ii—Cu1—Ag9 | 63.19 (2) | Ag3—S10—Ag3iv | 109.7 (3) |
Ag5ii—Cu1—Ag9x | 137.80 (4) | Ag3—S10—Ag3iii | 93.49 (16) |
Ag5ii—Cu1—Ag10ii | 84.47 (5) | Ag3—S10—Ag3xiv | 101.1 (4) |
Ag5ii—Cu1—Ag10ix | 79.31 (5) | Ag3—S10—Ag3xv | 164.7 (3) |
Ag5ii—Cu1—S5ii | 62.12 (5) | Ag3—S10—Ag3cu | 0 |
Ag5ii—Cu1—S5ix | 119.79 (5) | Ag3—S10—Ag3cuv | 85.5 (2) |
Ag5ix—Cu1—Ag5ii | 158.40 (5) | Ag3—S10—Ag3cuiv | 109.7 (3) |
Ag5ix—Cu1—Ag8v | 67.25 (4) | Ag3—S10—Ag3cuiii | 93.49 (15) |
Ag5ix—Cu1—Ag8vii | 121.57 (3) | Ag3—S10—Ag3cuxiv | 101.1 (4) |
Ag5ix—Cu1—Ag9 | 137.80 (4) | Ag3—S10—Ag3cuxv | 164.7 (3) |
Ag5ix—Cu1—Ag9x | 63.19 (2) | Ag3—S10—S10v | 106.3 (9) |
Ag5ix—Cu1—Ag10ii | 79.31 (5) | Ag3—S10—S10iii | 135.77 (19) |
Ag5ix—Cu1—Ag10ix | 84.47 (5) | Ag3v—S10—Ag3 | 85.5 (2) |
Ag5ix—Cu1—S5ii | 119.79 (6) | Ag3v—S10—Ag3iv | 164.7 (3) |
Ag5ix—Cu1—S5ix | 62.12 (6) | Ag3v—S10—Ag3iii | 78.91 (16) |
Ag8v—Cu1—Ag8vii | 137.15 (8) | Ag3v—S10—Ag3xiv | 81.5 (3) |
Ag8v—Cu1—Ag9 | 81.34 (6) | Ag3v—S10—Ag3xv | 79.44 (19) |
Ag8v—Cu1—Ag9x | 65.53 (5) | Ag3v—S10—Ag3cu | 85.5 (2) |
Ag8v—Cu1—Ag10ii | 73.92 (6) | Ag3v—S10—Ag3cuv | 0 |
Ag8v—Cu1—Ag10ix | 145.74 (8) | Ag3v—S10—Ag3cuiv | 164.7 (3) |
Ag8v—Cu1—S5ii | 59.90 (5) | Ag3v—S10—Ag3cuiii | 78.91 (15) |
Ag8v—Cu1—S5ix | 116.40 (5) | Ag3v—S10—Ag3cuxiv | 81.5 (3) |
Ag8vii—Cu1—Ag8v | 137.15 (8) | Ag3v—S10—Ag3cuxv | 79.44 (18) |
Ag8vii—Cu1—Ag9 | 65.53 (4) | Ag3v—S10—S10v | 31.90 (15) |
Ag8vii—Cu1—Ag9x | 81.34 (4) | Ag3v—S10—S10iii | 61.1 (9) |
Ag8vii—Cu1—Ag10ii | 145.74 (6) | Ag3iv—S10—Ag3 | 109.7 (3) |
Ag8vii—Cu1—Ag10ix | 73.92 (7) | Ag3iv—S10—Ag3v | 164.7 (3) |
Ag8vii—Cu1—S5ii | 116.40 (7) | Ag3iv—S10—Ag3iii | 101.1 (4) |
Ag8vii—Cu1—S5ix | 59.90 (7) | Ag3iv—S10—Ag3xiv | 93.49 (16) |
Ag9—Cu1—Ag9x | 78.72 (3) | Ag3iv—S10—Ag3xv | 85.5 (2) |
Ag9—Cu1—Ag10ii | 119.19 (4) | Ag3iv—S10—Ag3cu | 109.7 (3) |
Ag9—Cu1—Ag10ix | 132.50 (5) | Ag3iv—S10—Ag3cuv | 164.7 (3) |
Ag9—Cu1—S5ii | 58.76 (7) | Ag3iv—S10—Ag3cuiv | 0 |
Ag9—Cu1—S5ix | 113.45 (7) | Ag3iv—S10—Ag3cuiii | 101.1 (4) |
Ag9x—Cu1—Ag9 | 78.72 (3) | Ag3iv—S10—Ag3cuxiv | 93.49 (15) |
Ag9x—Cu1—Ag10ii | 132.50 (4) | Ag3iv—S10—Ag3cuxv | 85.5 (2) |
Ag9x—Cu1—Ag10ix | 119.19 (3) | Ag3iv—S10—S10v | 135.77 (19) |
Ag9x—Cu1—S5ii | 113.45 (5) | Ag3iv—S10—S10iii | 106.3 (9) |
Ag9x—Cu1—S5ix | 58.76 (4) | Ag3iii—S10—Ag3 | 93.49 (16) |
Ag10ii—Cu1—Ag10ix | 82.43 (6) | Ag3iii—S10—Ag3v | 78.91 (16) |
Ag10ii—Cu1—S5ii | 60.70 (8) | Ag3iii—S10—Ag3iv | 101.1 (4) |
Ag10ii—Cu1—S5ix | 127.35 (8) | Ag3iii—S10—Ag3xiv | 154.5 (3) |
Ag10ix—Cu1—Ag10ii | 82.43 (6) | Ag3iii—S10—Ag3xv | 81.5 (3) |
Ag10ix—Cu1—S5ii | 127.35 (6) | Ag3iii—S10—Ag3cu | 93.49 (15) |
Ag10ix—Cu1—S5ix | 60.70 (5) | Ag3iii—S10—Ag3cuv | 78.91 (15) |
S5ii—Cu1—S5ix | 171.05 (9) | Ag3iii—S10—Ag3cuiv | 101.1 (4) |
S5ix—Cu1—S5ii | 171.05 (9) | Ag3iii—S10—Ag3cuiii | 0 |
Ag7—Cu2—Ag7v | 95.15 (2) | Ag3iii—S10—Ag3cuxiv | 154.5 (3) |
Ag7—Cu2—Ag7vii | 68.524 (18) | Ag3iii—S10—Ag3cuxv | 81.5 (3) |
Ag7—Cu2—Ag7iii | 95.15 (2) | Ag3iii—S10—S10v | 101.4 (9) |
Ag7—Cu2—Ag7x | 107.16 (2) | Ag3iii—S10—S10iii | 54.5 (8) |
Ag7—Cu2—Ag7xi | 153.08 (3) | Ag3xiv—S10—Ag3 | 101.1 (4) |
Ag7—Cu2—S6 | 58.467 (12) | Ag3xiv—S10—Ag3v | 81.5 (3) |
Ag7—Cu2—S6vii | 121.533 (12) | Ag3xiv—S10—Ag3iv | 93.49 (16) |
Ag7v—Cu2—Ag7 | 95.15 (2) | Ag3xiv—S10—Ag3iii | 154.5 (3) |
Ag7v—Cu2—Ag7vii | 153.08 (3) | Ag3xiv—S10—Ag3xv | 78.91 (16) |
Ag7v—Cu2—Ag7iii | 95.15 (3) | Ag3xiv—S10—Ag3cu | 101.1 (4) |
Ag7v—Cu2—Ag7x | 68.52 (2) | Ag3xiv—S10—Ag3cuv | 81.5 (3) |
Ag7v—Cu2—Ag7xi | 107.16 (2) | Ag3xiv—S10—Ag3cuiv | 93.49 (15) |
Ag7v—Cu2—S6 | 58.467 (13) | Ag3xiv—S10—Ag3cuiii | 154.5 (3) |
Ag7v—Cu2—S6vii | 121.533 (13) | Ag3xiv—S10—Ag3cuxiv | 0 |
Ag7vii—Cu2—Ag7 | 68.524 (18) | Ag3xiv—S10—Ag3cuxv | 78.91 (15) |
Ag7vii—Cu2—Ag7v | 153.08 (3) | Ag3xiv—S10—S10v | 54.5 (8) |
Ag7vii—Cu2—Ag7iii | 107.16 (2) | Ag3xiv—S10—S10iii | 101.4 (9) |
Ag7vii—Cu2—Ag7x | 95.15 (2) | Ag3xv—S10—Ag3 | 164.7 (3) |
Ag7vii—Cu2—Ag7xi | 95.15 (2) | Ag3xv—S10—Ag3v | 79.44 (19) |
Ag7vii—Cu2—S6 | 121.533 (12) | Ag3xv—S10—Ag3iv | 85.5 (2) |
Ag7vii—Cu2—S6vii | 58.467 (12) | Ag3xv—S10—Ag3iii | 81.5 (3) |
Ag7iii—Cu2—Ag7 | 95.15 (2) | Ag3xv—S10—Ag3xiv | 78.91 (16) |
Ag7iii—Cu2—Ag7v | 95.15 (3) | Ag3xv—S10—Ag3cu | 164.7 (3) |
Ag7iii—Cu2—Ag7vii | 107.16 (2) | Ag3xv—S10—Ag3cuv | 79.44 (18) |
Ag7iii—Cu2—Ag7x | 153.08 (2) | Ag3xv—S10—Ag3cuiv | 85.5 (2) |
Ag7iii—Cu2—Ag7xi | 68.52 (2) | Ag3xv—S10—Ag3cuiii | 81.5 (3) |
Ag7iii—Cu2—S6 | 58.467 (15) | Ag3xv—S10—Ag3cuxiv | 78.91 (15) |
Ag7iii—Cu2—S6vii | 121.533 (15) | Ag3xv—S10—Ag3cuxv | 0 |
Ag7x—Cu2—Ag7 | 107.16 (2) | Ag3xv—S10—S10v | 61.1 (9) |
Ag7x—Cu2—Ag7v | 68.52 (2) | Ag3xv—S10—S10iii | 31.90 (15) |
Ag7x—Cu2—Ag7vii | 95.15 (2) | Ag3cu—S10—Ag3cuv | 85.5 (2) |
Ag7x—Cu2—Ag7iii | 153.08 (2) | Ag3cu—S10—Ag3cuiv | 109.7 (3) |
Ag7x—Cu2—Ag7xi | 95.15 (3) | Ag3cu—S10—Ag3cuiii | 93.49 (14) |
Ag7x—Cu2—S6 | 121.533 (15) | Ag3cu—S10—Ag3cuxiv | 101.1 (4) |
Ag7x—Cu2—S6vii | 58.467 (15) | Ag3cu—S10—Ag3cuxv | 164.7 (3) |
Ag7xi—Cu2—Ag7 | 153.08 (3) | Ag3cu—S10—S10v | 106.3 (9) |
Ag7xi—Cu2—Ag7v | 107.16 (2) | Ag3cu—S10—S10iii | 135.77 (19) |
Ag7xi—Cu2—Ag7vii | 95.15 (2) | Ag3cuv—S10—Ag3cu | 85.5 (2) |
Ag7xi—Cu2—Ag7iii | 68.52 (2) | Ag3cuv—S10—Ag3cuiv | 164.7 (3) |
Ag7xi—Cu2—Ag7x | 95.15 (3) | Ag3cuv—S10—Ag3cuiii | 78.91 (14) |
Ag7xi—Cu2—S6 | 121.533 (13) | Ag3cuv—S10—Ag3cuxiv | 81.5 (3) |
Ag7xi—Cu2—S6vii | 58.467 (13) | Ag3cuv—S10—Ag3cuxv | 79.44 (17) |
S6—Cu2—S6vii | 180 | Ag3cuv—S10—S10v | 31.90 (15) |
S6vii—Cu2—S6 | 180 | Ag3cuv—S10—S10iii | 61.1 (9) |
Sb1—S1—Ag1 | 102.21 (6) | Ag3cuiv—S10—Ag3cu | 109.7 (3) |
Sb1—S1—Ag2 | 101.31 (8) | Ag3cuiv—S10—Ag3cuv | 164.7 (3) |
Sb1—S1—Ag2cu | 101.31 (8) | Ag3cuiv—S10—Ag3cuiii | 101.1 (4) |
Sb1—S1—Ag5 | 108.73 (6) | Ag3cuiv—S10—Ag3cuxiv | 93.49 (14) |
Ag1—S1—Ag2 | 114.28 (7) | Ag3cuiv—S10—Ag3cuxv | 85.5 (2) |
Ag1—S1—Ag2cu | 114.28 (6) | Ag3cuiv—S10—S10v | 135.77 (19) |
Ag1—S1—Ag5 | 101.10 (8) | Ag3cuiv—S10—S10iii | 106.3 (9) |
Ag2—S1—Ag2cu | 0 | Ag3cuiii—S10—Ag3cu | 93.49 (14) |
Ag2—S1—Ag5 | 126.80 (7) | Ag3cuiii—S10—Ag3cuv | 78.91 (14) |
Ag2cu—S1—Ag5 | 126.80 (7) | Ag3cuiii—S10—Ag3cuiv | 101.1 (4) |
Sb2v—S2—Ag2 | 100.30 (8) | Ag3cuiii—S10—Ag3cuxiv | 154.5 (3) |
Sb2v—S2—Ag2cu | 100.30 (8) | Ag3cuiii—S10—Ag3cuxv | 81.5 (3) |
Sb2v—S2—Ag3 | 100.21 (7) | Ag3cuiii—S10—S10v | 101.4 (9) |
Sb2v—S2—Ag3cu | 100.21 (6) | Ag3cuiii—S10—S10iii | 54.5 (8) |
Sb2v—S2—Ag6v | 102.21 (7) | Ag3cuxiv—S10—Ag3cu | 101.1 (4) |
Ag2—S2—Ag2cu | 0 | Ag3cuxiv—S10—Ag3cuv | 81.5 (3) |
Ag2—S2—Ag3 | 110.65 (7) | Ag3cuxiv—S10—Ag3cuiv | 93.49 (14) |
Ag2—S2—Ag3cu | 110.65 (6) | Ag3cuxiv—S10—Ag3cuiii | 154.5 (3) |
Ag2—S2—Ag6v | 119.51 (10) | Ag3cuxiv—S10—Ag3cuxv | 78.91 (14) |
Ag2cu—S2—Ag3 | 110.65 (7) | Ag3cuxiv—S10—S10v | 54.5 (8) |
Ag2cu—S2—Ag3cu | 110.65 (6) | Ag3cuxiv—S10—S10iii | 101.4 (9) |
Ag2cu—S2—Ag6v | 119.51 (9) | Ag3cuxv—S10—Ag3cu | 164.7 (3) |
Ag3—S2—Ag3cu | 0 | Ag3cuxv—S10—Ag3cuv | 79.44 (17) |
Ag3—S2—Ag6v | 119.23 (11) | Ag3cuxv—S10—Ag3cuiv | 85.5 (2) |
Ag3cu—S2—Ag6v | 119.23 (10) | Ag3cuxv—S10—Ag3cuiii | 81.5 (3) |
Sb2—S3—Ag1 | 104.20 (7) | Ag3cuxv—S10—Ag3cuxiv | 78.91 (14) |
Sb2—S3—Ag3 | 102.02 (8) | Ag3cuxv—S10—S10v | 61.1 (9) |
Sb2—S3—Ag3cu | 102.02 (6) | Ag3cuxv—S10—S10iii | 31.90 (15) |
Sb2—S3—Ag7 | 122.88 (8) | S10v—S10—S10iii | 60.0 (14) |
Sb2—S3—Ag10 | 96.78 (9) | S10iii—S10—S10v | 60.0 (14) |
Ag1—S3—Ag3 | 119.29 (10) |
Symmetry codes: (i) −y+1, x−y+1, z; (ii) −x+y, −x+1, z; (iii) −x+y, −x, z; (iv) y, x, −z; (v) −y, x−y, z; (vi) −x+y+1, −x+1, z; (vii) y, x, −z+1; (viii) −y+1, x−y, z; (ix) x−y, −y+1, −z+1; (x) −x, −x+y, −z+1; (xi) x−y, −y, −z+1; (xii) −x+1, −x+y+1, −z+1; (xiii) x−y+1, −y+1, −z; (xiv) −x, −x+y, −z; (xv) x−y, −y, −z. |
(polybasite222) top
Crystal data top
Ag14.814Cu1.186S11Sb2 | F(000) = 16139 |
Mr = 2269.5 | Dx = 6.401 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -C 2yc | Cell parameters from 228 reflections |
a = 26.188 (3) Å | θ = 6.4–36° |
b = 15.1199 (18) Å | µ = 16.25 mm−1 |
c = 23.784 (3) Å | T = 100 K |
β = 90° | Block, black |
V = 9418 (2) Å3 | 0.15 × 0.12 × 0.09 mm |
Z = 16 |
Data collection top
Nonius CCD diffractometer | Rint = 0.073 |
ω, ϕ scans | θmax = 36.0°, θmin = 6.5° |
Absorption correction: gaussian (Jana2000; Petricek, Dusek & Palatinus, 2000) | h = −43→39 |
Tmin = 0.186, Tmax = 0.268 | k = −25→24 |
43813 independent reflections | l = −38→39 |
38767 reflections with I > 2σ(I) |
Refinement top
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.000484F2) |
R[F2 > 2σ(F2)] = 0.050 | (Δ/σ)max = 0.002 |
wR(F2) = 0.057 | Δρmax = 1.15 e Å−3 |
S = 1.48 | Δρmin = −1.10 e Å−3 |
43813 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
592 parameters | Extinction coefficient: 0.058449 |
Crystal data top
Ag14.814Cu1.186S11Sb2 | V = 9418 (2) Å3 |
Mr = 2269.5 | Z = 16 |
Monoclinic, C2/c | Mo Kα radiation |
a = 26.188 (3) Å | µ = 16.25 mm−1 |
b = 15.1199 (18) Å | T = 100 K |
c = 23.784 (3) Å | 0.15 × 0.12 × 0.09 mm |
β = 90° |
Data collection top
Nonius CCD diffractometer | 43813 independent reflections |
Absorption correction: gaussian (Jana2000; Petricek, Dusek & Palatinus, 2000) | 38767 reflections with I > 2σ(I) |
Tmin = 0.186, Tmax = 0.268 | Rint = 0.073 |
Refinement top
R[F2 > 2σ(F2)] = 0.050 | 592 parameters |
wR(F2) = 0.057 | Δρmax = 1.15 e Å−3 |
S = 1.48 | Δρmin = −1.10 e Å−3 |
43813 reflections |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Sb1 | 0.16691 (2) | 0.24468 (4) | 0.043172 (19) | 0.00956 (11) | |
Sb2 | 0.16495 (2) | 0.75956 (3) | 0.04531 (2) | 0.00994 (11) | |
Sb3 | 0.42279 (2) | −0.00463 (3) | 0.04458 (2) | 0.00930 (11) | |
Sb4 | 0.41010 (2) | 0.50144 (3) | 0.04556 (2) | 0.00909 (11) | |
Ag1 | 0.03265 (3) | 0.15019 (4) | 0.05067 (3) | 0.01525 (15) | |
Ag2 | 0.04411 (3) | 0.35807 (5) | 0.06687 (3) | 0.02130 (18) | |
Ag3 | 0.04367 (7) | 0.62582 (12) | 0.07179 (7) | 0.0183 (2) | 0.629 (10) |
Ag3cu | 0.043671 | 0.625823 | 0.071791 | 0.0183 (2) | 0.371 (10) |
Ag4 | 0.02949 (3) | 0.86029 (5) | 0.05571 (3) | 0.01601 (15) | |
Ag5 | 0.16341 (3) | 0.00236 (4) | 0.07795 (3) | 0.01789 (15) | |
Ag6 | 0.18568 (3) | 0.50214 (4) | 0.04781 (3) | 0.01345 (14) | |
Ag7 | 0.28893 (3) | 0.10133 (4) | 0.05286 (3) | 0.01352 (14) | |
Ag8 | 0.28366 (3) | 0.37619 (4) | 0.06492 (3) | 0.01808 (16) | |
Ag9 | 0.28776 (6) | 0.62742 (10) | 0.06453 (6) | 0.02113 (18) | |
Ag10 | 0.28782 (3) | 0.90120 (4) | 0.05781 (3) | 0.01542 (15) | |
Ag11 | 0.43191 (3) | 0.25277 (4) | 0.05661 (3) | 0.01649 (16) | |
Ag12 | 0.41473 (8) | 0.74569 (10) | 0.06274 (7) | 0.0292 (3) | |
Ag13 | 0.16136 (2) | 0.00334 (5) | 0.20404 (3) | 0.01731 (15) | |
Ag14 | 0.34606 (6) | 0.02735 (14) | 0.17942 (7) | 0.0278 (2) | |
Ag15 | 0.46076 (3) | 0.00332 (5) | 0.19763 (3) | 0.01657 (15) | |
Ag16 | 0.09979 (3) | 0.19379 (5) | 0.19995 (3) | 0.01964 (17) | |
Ag17 | 0.22299 (3) | 0.17223 (4) | 0.19582 (3) | 0.01814 (16) | |
Ag18 | 0.41209 (3) | 0.20694 (5) | 0.18710 (3) | 0.01792 (16) | |
Ag19 | 0.05294 (3) | 0.37623 (4) | 0.19771 (3) | 0.01483 (14) | |
Ag20 | 0.17400 (3) | 0.37194 (5) | 0.19025 (3) | 0.01810 (16) | |
Ag21 | 0.29031 (3) | 0.36252 (4) | 0.19557 (3) | 0.01846 (16) | |
Ag22 | 0.40081 (3) | 0.42196 (5) | 0.19368 (3) | 0.01853 (16) | |
Ag23 | 0.06107 (3) | 0.63423 (4) | 0.19347 (3) | 0.01860 (16) | |
Ag24 | 0.18582 (7) | 0.63050 (10) | 0.18493 (6) | 0.02220 (18) | |
Ag25 | 0.30915 (3) | 0.60887 (5) | 0.18989 (3) | 0.02353 (19) | |
Ag26 | 0.46596 (4) | 0.59302 (5) | 0.18331 (3) | 0.0265 (2) | |
Ag27 | 0.01979 (3) | 0.90541 (4) | 0.18484 (3) | 0.02073 (17) | |
Ag28 | 0.13309 (7) | 0.80839 (10) | 0.19781 (6) | 0.02180 (19) | |
Ag29 | 0.25624 (6) | 0.84547 (6) | 0.19081 (4) | 0.0504 (4) | |
Ag30 | 0.41597 (3) | 0.80262 (5) | 0.18696 (3) | 0.02007 (17) | |
Cu1 | 0 | 0.23886 (9) | 0.25 | 0.0097 (3) | |
Cu2 | 0 | 0.75503 (10) | 0.25 | 0.0127 (3) | |
Cu3 | 0.24135 (4) | 0.50395 (7) | 0.24890 (4) | 0.0107 (2) | |
S1 | 0.11844 (8) | 0.14076 (13) | 0.09828 (8) | 0.0124 (4) | |
S2 | 0.13520 (8) | 0.37545 (13) | 0.08965 (8) | 0.0117 (4) | |
S3 | 0.24561 (8) | 0.23559 (12) | 0.09666 (8) | 0.0096 (4) | |
S4 | 0.13478 (8) | 0.62719 (13) | 0.09082 (8) | 0.0125 (5) | |
S5 | 0.11857 (8) | 0.86442 (13) | 0.10367 (9) | 0.0135 (5) | |
S6 | 0.24456 (8) | 0.76115 (13) | 0.09706 (9) | 0.0123 (5) | |
S7 | 0.49861 (8) | −0.00273 (13) | 0.10515 (8) | 0.0128 (4) | |
S8 | 0.37890 (8) | 0.11781 (13) | 0.08808 (8) | 0.0102 (4) | |
S9 | 0.37867 (8) | 0.37455 (13) | 0.09860 (8) | 0.0113 (4) | |
S10 | 0.49477 (7) | 0.50546 (12) | 0.08729 (8) | 0.0099 (4) | |
S11 | 0.37878 (8) | 0.61442 (13) | 0.10859 (9) | 0.0133 (5) | |
S12 | 0.37553 (8) | 0.88766 (13) | 0.09824 (9) | 0.0127 (5) | |
S13 | 0.22726 (8) | −0.00277 (16) | 0.00135 (9) | 0.0155 (5) | |
S14 | 0.48778 (12) | 0.77813 (18) | −0.00040 (10) | 0.0278 (7) | |
S15 | 0.07259 (7) | 0.01881 (13) | 0.23137 (8) | 0.0097 (4) | |
S16 | 0.24775 (8) | 0.00902 (13) | 0.16066 (8) | 0.0097 (4) | |
S17 | 0.00440 (8) | 0.24792 (13) | 0.15961 (7) | 0.0095 (4) | |
S18 | 0.32644 (7) | 0.22384 (12) | 0.22820 (7) | 0.0090 (4) | |
S19 | 0.10304 (7) | 0.50215 (12) | 0.22999 (8) | 0.0088 (4) | |
S20 | 0.24470 (7) | 0.49395 (12) | 0.15820 (7) | 0.0088 (4) | |
S21 | 0.00012 (8) | 0.74821 (13) | 0.15950 (7) | 0.0086 (4) | |
S22 | 0.33157 (7) | 0.75747 (11) | 0.23146 (6) | 0.0070 (4) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Sb1 | 0.0107 (2) | 0.0090 (2) | 0.00900 (17) | −0.00039 (17) | 0.00115 (18) | 0.00059 (16) |
Sb2 | 0.0117 (2) | 0.00890 (19) | 0.00920 (18) | −0.00008 (16) | 0.00150 (18) | 0.00023 (15) |
Sb3 | 0.01021 (19) | 0.0092 (2) | 0.00850 (19) | 0.00040 (16) | 0.00135 (15) | −0.00093 (16) |
Sb4 | 0.01014 (19) | 0.00880 (19) | 0.00834 (18) | −0.00010 (16) | 0.00106 (15) | −0.00067 (16) |
Ag1 | 0.0145 (3) | 0.0157 (3) | 0.0156 (3) | −0.0025 (2) | −0.0003 (2) | 0.0005 (2) |
Ag2 | 0.0128 (3) | 0.0251 (3) | 0.0261 (3) | 0.0018 (2) | 0.0000 (2) | 0.0072 (3) |
Ag3 | 0.0155 (4) | 0.0192 (4) | 0.0201 (4) | −0.0052 (3) | 0.0004 (3) | 0.0038 (3) |
Ag3cu | 0.0155 (4) | 0.0192 (4) | 0.0201 (4) | −0.0052 (3) | 0.0004 (3) | 0.0038 (3) |
Ag4 | 0.0137 (3) | 0.0173 (3) | 0.0170 (3) | 0.0017 (2) | 0.0003 (2) | 0.0006 (2) |
Ag5 | 0.0214 (3) | 0.0120 (2) | 0.0202 (3) | 0.0008 (2) | 0.0061 (2) | −0.0007 (2) |
Ag6 | 0.0141 (2) | 0.0140 (2) | 0.0122 (2) | 0.0004 (2) | 0.00375 (19) | 0.0001 (2) |
Ag7 | 0.0133 (3) | 0.0123 (2) | 0.0149 (3) | 0.00038 (19) | 0.0027 (2) | −0.00264 (19) |
Ag8 | 0.0170 (3) | 0.0135 (3) | 0.0237 (3) | −0.0031 (2) | 0.0055 (2) | 0.0001 (2) |
Ag9 | 0.0226 (3) | 0.0198 (3) | 0.0209 (3) | 0.0098 (3) | 0.0012 (3) | −0.0030 (2) |
Ag10 | 0.0144 (3) | 0.0143 (3) | 0.0175 (3) | −0.0001 (2) | 0.0011 (2) | 0.0032 (2) |
Ag11 | 0.0183 (3) | 0.0121 (3) | 0.0191 (3) | −0.0023 (2) | −0.0008 (2) | 0.0016 (2) |
Ag12 | 0.0542 (6) | 0.0129 (3) | 0.0204 (3) | −0.0067 (3) | 0.0004 (4) | 0.0032 (2) |
Ag13 | 0.0103 (2) | 0.0233 (3) | 0.0183 (3) | −0.0039 (2) | 0.0046 (2) | −0.0056 (2) |
Ag14 | 0.0102 (3) | 0.0612 (6) | 0.0119 (3) | −0.0024 (3) | −0.0004 (2) | 0.0029 (3) |
Ag15 | 0.0142 (2) | 0.0236 (3) | 0.0119 (2) | 0.0034 (2) | 0.00292 (19) | 0.0011 (2) |
Ag16 | 0.0208 (3) | 0.0207 (3) | 0.0174 (3) | 0.0053 (2) | −0.0049 (2) | −0.0065 (2) |
Ag17 | 0.0226 (3) | 0.0187 (3) | 0.0131 (2) | 0.0005 (2) | 0.0079 (2) | −0.0004 (2) |
Ag18 | 0.0098 (2) | 0.0293 (3) | 0.0147 (3) | −0.0016 (2) | 0.0009 (2) | 0.0046 (2) |
Ag19 | 0.0185 (3) | 0.0090 (2) | 0.0170 (3) | −0.00400 (19) | −0.0035 (2) | 0.0010 (2) |
Ag20 | 0.0190 (3) | 0.0192 (3) | 0.0161 (3) | −0.0003 (2) | 0.0042 (2) | 0.0047 (2) |
Ag21 | 0.0186 (3) | 0.0140 (3) | 0.0228 (3) | 0.0071 (2) | 0.0050 (2) | 0.0052 (2) |
Ag22 | 0.0195 (3) | 0.0232 (3) | 0.0129 (3) | −0.0053 (2) | 0.0028 (2) | −0.0033 (2) |
Ag23 | 0.0239 (3) | 0.0135 (3) | 0.0184 (3) | 0.0080 (2) | −0.0062 (2) | −0.0031 (2) |
Ag24 | 0.0319 (4) | 0.0202 (3) | 0.0145 (3) | 0.0156 (3) | −0.0016 (3) | −0.0033 (2) |
Ag25 | 0.0374 (4) | 0.0211 (3) | 0.0121 (3) | −0.0170 (3) | 0.0048 (3) | −0.0019 (2) |
Ag26 | 0.0467 (5) | 0.0204 (3) | 0.0125 (3) | −0.0202 (3) | −0.0029 (3) | 0.0038 (2) |
Ag27 | 0.0315 (4) | 0.0144 (3) | 0.0163 (3) | −0.0115 (2) | 0.0074 (3) | −0.0036 (2) |
Ag28 | 0.0377 (4) | 0.0153 (3) | 0.0124 (3) | 0.0037 (3) | −0.0027 (3) | 0.0013 (2) |
Ag29 | 0.1043 (10) | 0.0296 (4) | 0.0174 (3) | 0.0423 (5) | −0.0133 (5) | −0.0080 (3) |
Ag30 | 0.0112 (3) | 0.0371 (4) | 0.0119 (3) | 0.0036 (2) | 0.0000 (2) | 0.0022 (2) |
Cu1 | 0.0121 (5) | 0.0108 (6) | 0.0063 (5) | 0 | 0.0023 (5) | 0 |
Cu2 | 0.0159 (6) | 0.0147 (6) | 0.0075 (5) | 0 | 0.0017 (5) | 0 |
Cu3 | 0.0126 (4) | 0.0125 (4) | 0.0070 (3) | 0.0019 (3) | 0.0012 (3) | 0.0015 (3) |
S1 | 0.0121 (8) | 0.0121 (8) | 0.0130 (8) | −0.0022 (6) | −0.0003 (6) | 0.0010 (6) |
S2 | 0.0123 (8) | 0.0078 (7) | 0.0149 (8) | 0.0001 (6) | 0.0019 (6) | 0.0006 (6) |
S3 | 0.0095 (7) | 0.0097 (7) | 0.0095 (7) | −0.0004 (6) | 0.0009 (6) | 0.0013 (6) |
S4 | 0.0176 (9) | 0.0083 (7) | 0.0115 (7) | 0.0006 (6) | 0.0021 (7) | −0.0002 (6) |
S5 | 0.0123 (8) | 0.0132 (8) | 0.0151 (8) | 0.0035 (6) | −0.0014 (7) | −0.0002 (6) |
S6 | 0.0096 (8) | 0.0118 (7) | 0.0155 (9) | 0.0003 (6) | −0.0015 (6) | −0.0029 (6) |
S7 | 0.0078 (7) | 0.0185 (8) | 0.0122 (7) | 0.0013 (6) | 0.0009 (6) | −0.0023 (6) |
S8 | 0.0129 (8) | 0.0086 (7) | 0.0092 (7) | 0.0009 (6) | 0.0015 (6) | 0.0002 (6) |
S9 | 0.0132 (8) | 0.0104 (7) | 0.0101 (7) | −0.0032 (6) | −0.0013 (6) | −0.0010 (6) |
S10 | 0.0071 (7) | 0.0096 (7) | 0.0129 (7) | −0.0002 (6) | 0.0009 (6) | 0.0031 (6) |
S11 | 0.0146 (8) | 0.0100 (7) | 0.0154 (8) | 0.0019 (6) | 0.0018 (7) | −0.0016 (6) |
S12 | 0.0145 (8) | 0.0103 (7) | 0.0134 (8) | −0.0022 (6) | −0.0006 (7) | 0.0032 (6) |
S13 | 0.0127 (7) | 0.0219 (9) | 0.0120 (8) | −0.0009 (8) | −0.0004 (6) | 0.0008 (7) |
S14 | 0.0401 (15) | 0.0262 (12) | 0.0172 (10) | 0.0170 (10) | −0.0002 (10) | −0.0101 (9) |
S15 | 0.0082 (7) | 0.0121 (7) | 0.0088 (7) | −0.0017 (5) | 0.0014 (6) | −0.0029 (6) |
S16 | 0.0081 (7) | 0.0132 (8) | 0.0078 (7) | 0.0005 (6) | 0.0022 (6) | −0.0013 (6) |
S17 | 0.0118 (8) | 0.0097 (7) | 0.0070 (6) | −0.0022 (6) | 0.0027 (6) | 0.0010 (6) |
S18 | 0.0089 (7) | 0.0101 (7) | 0.0080 (6) | 0.0013 (6) | 0.0005 (6) | 0.0014 (5) |
S19 | 0.0080 (7) | 0.0091 (7) | 0.0094 (7) | −0.0010 (6) | 0.0005 (5) | 0.0003 (6) |
S20 | 0.0107 (7) | 0.0090 (7) | 0.0067 (6) | 0.0021 (6) | 0.0007 (6) | −0.0007 (6) |
S21 | 0.0103 (7) | 0.0089 (7) | 0.0065 (6) | −0.0001 (6) | 0.0007 (6) | −0.0005 (6) |
S22 | 0.0079 (7) | 0.0061 (6) | 0.0070 (6) | −0.0031 (5) | 0.0012 (6) | −0.0009 (5) |
Geometric parameters (Å, º) top
Sb1—S1 | 2.408 (2) | Ag14—S19viii | 2.562 (2) |
Sb1—S2 | 2.413 (2) | Ag15—S7 | 2.414 (2) |
Sb1—S3 | 2.426 (2) | Ag15—S19viii | 2.3992 (19) |
Sb2—S4 | 2.409 (2) | Ag16—Cu1 | 2.9514 (8) |
Sb2—S5 | 2.432 (2) | Ag16—S1 | 2.594 (2) |
Sb2—S6 | 2.421 (2) | Ag16—S15 | 2.840 (2) |
Sb3—S7 | 2.453 (2) | Ag16—S17 | 2.798 (2) |
Sb3—S8 | 2.412 (2) | Ag16—S22viii | 2.6115 (19) |
Sb3—S12i | 2.411 (2) | Ag17—S3 | 2.614 (2) |
Sb4—S9 | 2.439 (2) | Ag17—S16 | 2.685 (2) |
Sb4—S10 | 2.430 (2) | Ag17—S18 | 2.923 (2) |
Sb4—S11 | 2.416 (2) | Ag17—S22viii | 2.5872 (18) |
Ag1—S1 | 2.520 (2) | Ag18—Cu2ix | 2.8402 (8) |
Ag1—S10ii | 2.556 (2) | Ag18—S8 | 2.849 (2) |
Ag1—S14ii | 2.569 (3) | Ag18—S18 | 2.460 (2) |
Ag2—S2 | 2.461 (2) | Ag18—S21ix | 2.477 (2) |
Ag2—S7iii | 2.584 (2) | Ag19—Cu1 | 2.7899 (12) |
Ag2—S14ii | 2.489 (3) | Ag19—S17 | 2.490 (2) |
Ag2—S17 | 2.953 (2) | Ag19—S19 | 2.4363 (19) |
Ag3—Ag3cu | 0 | Ag20—S2 | 2.600 (2) |
Ag3—Ag23 | 2.9324 (18) | Ag20—S19 | 2.8674 (19) |
Ag3—S4 | 2.429 (3) | Ag20—S20 | 2.723 (2) |
Ag3—S7iii | 2.408 (3) | Ag20—S22viii | 2.5463 (17) |
Ag3—S14iv | 2.381 (3) | Ag21—Ag29viii | 2.9757 (12) |
Ag3cu—Ag23 | 2.9324 (7) | Ag21—Cu3 | 2.7976 (12) |
Ag3cu—S4 | 2.429 (2) | Ag21—S18 | 2.4277 (19) |
Ag3cu—S7iii | 2.408 (2) | Ag21—S20 | 2.483 (2) |
Ag3cu—S14iv | 2.381 (3) | Ag22—S9 | 2.442 (2) |
Ag4—S5 | 2.598 (2) | Ag22—S15x | 2.410 (2) |
Ag4—S10iii | 2.492 (2) | Ag23—Cu2 | 2.7752 (12) |
Ag4—S14iv | 2.513 (3) | Ag23—S19 | 2.4395 (19) |
Ag5—Ag13 | 2.9994 (10) | Ag23—S21 | 2.484 (2) |
Ag5—S1 | 2.450 (2) | Ag24—Cu3 | 2.8444 (19) |
Ag5—S5i | 2.470 (2) | Ag24—S4 | 2.607 (3) |
Ag5—S13 | 2.474 (2) | Ag24—S18x | 2.523 (2) |
Ag5—S16 | 2.959 (2) | Ag24—S20 | 2.654 (3) |
Ag6—Ag7v | 2.9364 (9) | Ag25—Cu3 | 2.7639 (13) |
Ag6—Ag10iv | 2.9879 (9) | Ag25—S11 | 2.659 (2) |
Ag6—S2 | 2.531 (2) | Ag25—S20 | 2.537 (2) |
Ag6—S4 | 2.530 (2) | Ag25—S22 | 2.5240 (18) |
Ag6—S13v | 2.562 (2) | Ag26—Cu1xi | 2.8588 (13) |
Ag7—S3 | 2.548 (2) | Ag26—S10 | 2.745 (2) |
Ag7—S8 | 2.513 (2) | Ag26—S11 | 2.911 (2) |
Ag7—S13 | 2.566 (2) | Ag26—S15x | 2.529 (2) |
Ag8—S3 | 2.466 (2) | Ag26—S17xi | 2.611 (2) |
Ag8—S9 | 2.614 (2) | Ag27—Cu2 | 2.7999 (14) |
Ag8—S13v | 2.496 (2) | Ag27—S10iii | 2.846 (2) |
Ag9—S6 | 2.443 (3) | Ag27—S15vi | 2.465 (2) |
Ag9—S11 | 2.611 (3) | Ag27—S21 | 2.506 (2) |
Ag9—S13v | 2.482 (3) | Ag28—S5 | 2.424 (3) |
Ag10—S6 | 2.577 (2) | Ag28—S18x | 2.420 (2) |
Ag10—S12 | 2.499 (2) | Ag29—Cu3x | 2.7932 (14) |
Ag10—S13vi | 2.535 (2) | Ag29—S6 | 2.587 (2) |
Ag11—S8 | 2.579 (2) | Ag29—S16vi | 2.584 (2) |
Ag11—S9 | 2.516 (2) | Ag29—S22 | 2.568 (2) |
Ag11—S14vii | 2.536 (3) | Ag30—Cu1xi | 2.8319 (8) |
Ag12—S11 | 2.453 (3) | Ag30—S12 | 2.688 (2) |
Ag12—S12 | 2.525 (3) | Ag30—S17xi | 2.544 (2) |
Ag12—S14 | 2.481 (3) | Ag30—S22 | 2.544 (2) |
Ag13—Cu3viii | 2.7829 (12) | Cu1—S17 | 2.1572 (17) |
Ag13—S15 | 2.425 (2) | Cu1—S17xii | 2.1572 (17) |
Ag13—S16 | 2.488 (2) | Cu2—S21 | 2.1549 (16) |
Ag14—Cu3viii | 2.8760 (19) | Cu2—S21xii | 2.1549 (16) |
Ag14—S8 | 2.707 (3) | Cu3—S16x | 2.171 (2) |
Ag14—S12i | 2.964 (3) | Cu3—S20 | 2.164 (2) |
Ag14—S16 | 2.628 (3) | ||
S1—Sb1—S2 | 95.96 (7) | Ag23—Cu2—S21xii | 116.95 (7) |
S1—Sb1—S3 | 97.20 (7) | Ag23xii—Cu2—Ag23 | 97.68 (5) |
S2—Sb1—S3 | 95.66 (7) | Ag23xii—Cu2—Ag27 | 155.40 (3) |
S4—Sb2—S5 | 96.97 (7) | Ag23xii—Cu2—Ag27xii | 99.18 (2) |
S4—Sb2—S6 | 93.57 (7) | Ag23xii—Cu2—S21 | 116.95 (7) |
S5—Sb2—S6 | 97.67 (7) | Ag23xii—Cu2—S21xii | 58.91 (6) |
S7—Sb3—S8 | 97.18 (7) | Ag27—Cu2—Ag27xii | 71.41 (4) |
S7—Sb3—S12i | 96.46 (7) | Ag27—Cu2—S21 | 59.05 (6) |
S8—Sb3—S12i | 92.68 (7) | Ag27—Cu2—S21xii | 126.30 (8) |
S9—Sb4—S10 | 96.68 (7) | Ag27xii—Cu2—Ag27 | 71.41 (4) |
S9—Sb4—S11 | 96.93 (7) | Ag27xii—Cu2—S21 | 126.30 (8) |
S10—Sb4—S11 | 92.21 (7) | Ag27xii—Cu2—S21xii | 59.05 (6) |
S1—Ag1—S10ii | 98.31 (7) | S21—Cu2—S21xii | 174.51 (11) |
S1—Ag1—S14ii | 131.52 (8) | S21xii—Cu2—S21 | 174.51 (11) |
S10ii—Ag1—S14ii | 128.93 (8) | Ag13x—Cu3—Ag14x | 119.38 (5) |
S2—Ag2—S7iii | 106.41 (7) | Ag13x—Cu3—Ag21 | 76.12 (3) |
S2—Ag2—S14ii | 140.17 (9) | Ag13x—Cu3—Ag24 | 133.27 (5) |
S2—Ag2—S17 | 103.71 (7) | Ag13x—Cu3—Ag25 | 67.54 (3) |
S7iii—Ag2—S14ii | 110.41 (8) | Ag13x—Cu3—Ag29viii | 76.70 (4) |
S7iii—Ag2—S17 | 91.94 (6) | Ag13x—Cu3—S16x | 58.75 (6) |
S14ii—Ag2—S17 | 89.86 (7) | Ag13x—Cu3—S20 | 111.31 (7) |
Ag3cu—Ag3—Ag23 | 0 | Ag14x—Cu3—Ag21 | 136.69 (6) |
Ag3cu—Ag3—S4 | 0 | Ag14x—Cu3—Ag24 | 80.07 (6) |
Ag3cu—Ag3—S7iii | 0 | Ag14x—Cu3—Ag25 | 137.88 (6) |
Ag3cu—Ag3—S14iv | 0 | Ag14x—Cu3—Ag29viii | 79.58 (5) |
Ag23—Ag3—S4 | 70.31 (6) | Ag14x—Cu3—S16x | 60.86 (7) |
Ag23—Ag3—S7iii | 77.65 (7) | Ag14x—Cu3—S20 | 129.18 (7) |
Ag23—Ag3—S14iv | 136.97 (10) | Ag21—Cu3—Ag24 | 120.40 (5) |
S4—Ag3—S7iii | 115.27 (10) | Ag21—Cu3—Ag25 | 85.07 (3) |
S4—Ag3—S14iv | 117.87 (11) | Ag21—Cu3—Ag29viii | 64.32 (3) |
S7iii—Ag3—S14iv | 123.89 (11) | Ag21—Cu3—S16x | 114.57 (7) |
Ag3—Ag3cu—Ag23 | 0 | Ag21—Cu3—S20 | 58.40 (6) |
Ag3—Ag3cu—S4 | 0 | Ag24—Cu3—Ag25 | 70.78 (4) |
Ag3—Ag3cu—S7iii | 0 | Ag24—Cu3—Ag29viii | 149.68 (6) |
Ag3—Ag3cu—S14iv | 0 | Ag24—Cu3—S16x | 124.99 (7) |
Ag23—Ag3cu—S4 | 70.31 (5) | Ag24—Cu3—S20 | 62.26 (6) |
Ag23—Ag3cu—S7iii | 77.65 (5) | Ag25—Cu3—Ag29viii | 137.60 (5) |
Ag23—Ag3cu—S14iv | 136.97 (6) | Ag25—Cu3—S16x | 113.47 (7) |
S4—Ag3cu—S7iii | 115.27 (7) | Ag25—Cu3—S20 | 60.52 (6) |
S4—Ag3cu—S14iv | 117.87 (8) | Ag29viii—Cu3—S16x | 61.23 (6) |
S7iii—Ag3cu—S14iv | 123.89 (8) | Ag29viii—Cu3—S20 | 116.80 (7) |
S5—Ag4—S10iii | 100.03 (7) | S16x—Cu3—S20 | 169.92 (9) |
S5—Ag4—S14iv | 114.30 (8) | Sb1—S1—Ag1 | 100.87 (7) |
S10iii—Ag4—S14iv | 145.66 (9) | Sb1—S1—Ag5 | 101.34 (8) |
Ag13—Ag5—S1 | 77.87 (5) | Sb1—S1—Ag16 | 113.89 (8) |
Ag13—Ag5—S5i | 75.41 (5) | Ag1—S1—Ag5 | 112.85 (8) |
Ag13—Ag5—S13 | 138.46 (6) | Ag1—S1—Ag16 | 103.50 (7) |
Ag13—Ag5—S16 | 49.35 (4) | Ag5—S1—Ag16 | 122.59 (8) |
S1—Ag5—S5i | 116.34 (7) | Sb1—S2—Ag2 | 98.35 (7) |
S1—Ag5—S13 | 119.81 (8) | Sb1—S2—Ag6 | 105.09 (8) |
S1—Ag5—S16 | 101.45 (6) | Sb1—S2—Ag20 | 105.69 (7) |
S5i—Ag5—S13 | 118.50 (8) | Ag2—S2—Ag6 | 120.04 (8) |
S5i—Ag5—S16 | 102.65 (6) | Ag2—S2—Ag20 | 125.41 (8) |
S13—Ag5—S16 | 89.21 (6) | Ag6—S2—Ag20 | 99.97 (7) |
Ag7v—Ag6—Ag10iv | 61.48 (2) | Sb1—S3—Ag7 | 102.06 (7) |
Ag7v—Ag6—S2 | 92.04 (5) | Sb1—S3—Ag8 | 97.70 (7) |
Ag7v—Ag6—S4 | 147.92 (5) | Sb1—S3—Ag17 | 107.54 (7) |
Ag7v—Ag6—S13v | 55.14 (5) | Ag7—S3—Ag8 | 112.44 (8) |
Ag10iv—Ag6—S2 | 145.28 (5) | Ag7—S3—Ag17 | 100.25 (7) |
Ag10iv—Ag6—S4 | 95.55 (5) | Ag8—S3—Ag17 | 133.13 (8) |
Ag10iv—Ag6—S13v | 53.69 (5) | Sb2—S4—Ag3 | 104.22 (9) |
S2—Ag6—S4 | 97.55 (7) | Sb2—S4—Ag3cu | 104.22 (8) |
S2—Ag6—S13v | 130.31 (7) | Sb2—S4—Ag6 | 105.45 (8) |
S4—Ag6—S13v | 130.60 (7) | Sb2—S4—Ag24 | 101.63 (8) |
Ag6v—Ag7—S3 | 149.16 (5) | Ag3—S4—Ag3cu | 0 |
Ag6v—Ag7—S8 | 96.45 (5) | Ag3—S4—Ag6 | 115.85 (9) |
Ag6v—Ag7—S13 | 55.00 (5) | Ag3—S4—Ag24 | 131.59 (10) |
S3—Ag7—S8 | 101.66 (7) | Ag3cu—S4—Ag6 | 115.85 (8) |
S3—Ag7—S13 | 113.80 (7) | Ag3cu—S4—Ag24 | 131.59 (9) |
S8—Ag7—S13 | 144.09 (7) | Ag6—S4—Ag24 | 95.24 (8) |
S3—Ag8—S9 | 106.42 (7) | Sb2—S5—Ag4 | 100.50 (7) |
S3—Ag8—S13v | 143.90 (7) | Sb2—S5—Ag5vi | 99.88 (8) |
S9—Ag8—S13v | 108.06 (7) | Sb2—S5—Ag28 | 102.76 (8) |
S6—Ag9—S11 | 110.98 (9) | Ag4—S5—Ag5vi | 109.79 (8) |
S6—Ag9—S13v | 139.03 (10) | Ag4—S5—Ag28 | 122.56 (9) |
S11—Ag9—S13v | 109.92 (9) | Ag5vi—S5—Ag28 | 116.69 (9) |
Ag6iv—Ag10—S6 | 143.97 (5) | Sb2—S6—Ag9 | 103.27 (8) |
Ag6iv—Ag10—S12 | 98.64 (5) | Sb2—S6—Ag10 | 101.68 (7) |
Ag6iv—Ag10—S13vi | 54.54 (5) | Sb2—S6—Ag29 | 123.01 (9) |
S6—Ag10—S12 | 101.38 (7) | Ag9—S6—Ag10 | 111.22 (9) |
S6—Ag10—S13vi | 112.81 (7) | Ag9—S6—Ag29 | 128.78 (10) |
S12—Ag10—S13vi | 145.68 (7) | Ag10—S6—Ag29 | 81.68 (6) |
S8—Ag11—S9 | 99.53 (7) | Sb3—S7—Ag2ix | 99.02 (7) |
S8—Ag11—S14vii | 116.98 (8) | Sb3—S7—Ag3ix | 102.27 (8) |
S9—Ag11—S14vii | 143.48 (8) | Sb3—S7—Ag3cuix | 102.27 (7) |
S11—Ag12—S12 | 112.53 (10) | Sb3—S7—Ag15 | 101.72 (8) |
S11—Ag12—S14 | 136.48 (11) | Ag2ix—S7—Ag3ix | 108.38 (9) |
S12—Ag12—S14 | 110.36 (10) | Ag2ix—S7—Ag3cuix | 108.38 (8) |
Ag5—Ag13—Cu3viii | 112.69 (3) | Ag2ix—S7—Ag15 | 122.76 (8) |
Ag5—Ag13—S15 | 106.60 (5) | Ag3ix—S7—Ag3cuix | 0 |
Ag5—Ag13—S16 | 64.49 (5) | Ag3ix—S7—Ag15 | 118.08 (9) |
Cu3viii—Ag13—S15 | 140.31 (6) | Ag3cuix—S7—Ag15 | 118.08 (8) |
Cu3viii—Ag13—S16 | 48.25 (5) | Sb3—S8—Ag7 | 103.17 (7) |
S15—Ag13—S16 | 168.37 (7) | Sb3—S8—Ag11 | 103.08 (7) |
Cu3viii—Ag14—S8 | 142.24 (8) | Sb3—S8—Ag14 | 96.19 (8) |
Cu3viii—Ag14—S12i | 120.38 (8) | Sb3—S8—Ag18 | 124.90 (8) |
Cu3viii—Ag14—S16 | 46.20 (5) | Ag7—S8—Ag11 | 119.10 (8) |
Cu3viii—Ag14—S19viii | 84.10 (7) | Ag7—S8—Ag14 | 85.39 (7) |
S8—Ag14—S12i | 75.79 (7) | Ag7—S8—Ag18 | 127.48 (8) |
S8—Ag14—S16 | 103.20 (8) | Ag11—S8—Ag14 | 143.47 (9) |
S8—Ag14—S19viii | 125.78 (9) | Ag11—S8—Ag18 | 72.63 (5) |
S12i—Ag14—S16 | 93.98 (8) | Ag14—S8—Ag18 | 70.89 (6) |
S12i—Ag14—S19viii | 107.84 (9) | Sb4—S9—Ag8 | 98.93 (7) |
S16—Ag14—S19viii | 129.56 (9) | Sb4—S9—Ag11 | 100.57 (7) |
S7—Ag15—S19viii | 159.95 (7) | Sb4—S9—Ag22 | 99.67 (7) |
Cu1—Ag16—S1 | 127.89 (5) | Ag8—S9—Ag11 | 114.37 (8) |
Cu1—Ag16—S15 | 83.50 (5) | Ag8—S9—Ag22 | 120.46 (8) |
Cu1—Ag16—S17 | 43.97 (4) | Ag11—S9—Ag22 | 116.79 (8) |
Cu1—Ag16—S22viii | 105.81 (5) | Sb4—S10—Ag1xi | 103.68 (7) |
S1—Ag16—S15 | 90.26 (6) | Sb4—S10—Ag4ix | 100.82 (7) |
S1—Ag16—S17 | 86.50 (6) | Sb4—S10—Ag26 | 95.80 (7) |
S1—Ag16—S22viii | 124.52 (6) | Sb4—S10—Ag27ix | 121.98 (8) |
S15—Ag16—S17 | 97.98 (6) | Ag1xi—S10—Ag4ix | 120.65 (8) |
S15—Ag16—S22viii | 110.59 (6) | Ag1xi—S10—Ag26 | 88.70 (6) |
S17—Ag16—S22viii | 136.12 (6) | Ag1xi—S10—Ag27ix | 130.06 (8) |
S3—Ag17—S16 | 90.06 (6) | Ag4ix—S10—Ag26 | 140.88 (8) |
S3—Ag17—S18 | 85.98 (6) | Ag4ix—S10—Ag27ix | 72.15 (5) |
S3—Ag17—S22viii | 123.08 (6) | Ag26—S10—Ag27ix | 68.99 (5) |
S16—Ag17—S18 | 95.94 (6) | Sb4—S11—Ag9 | 96.55 (8) |
S16—Ag17—S22viii | 143.07 (6) | Sb4—S11—Ag12 | 99.55 (9) |
S18—Ag17—S22viii | 101.70 (6) | Sb4—S11—Ag25 | 131.42 (8) |
Cu2ix—Ag18—S8 | 143.49 (5) | Sb4—S11—Ag26 | 91.95 (7) |
Cu2ix—Ag18—S18 | 120.22 (5) | Ag9—S11—Ag12 | 96.38 (9) |
Cu2ix—Ag18—S21ix | 47.21 (4) | Ag9—S11—Ag25 | 70.62 (6) |
S8—Ag18—S18 | 95.70 (6) | Ag9—S11—Ag26 | 165.75 (9) |
S8—Ag18—S21ix | 100.60 (6) | Ag12—S11—Ag25 | 127.75 (9) |
S18—Ag18—S21ix | 158.10 (7) | Ag12—S11—Ag26 | 93.46 (8) |
Cu1—Ag19—S17 | 47.81 (4) | Ag25—S11—Ag26 | 95.19 (7) |
Cu1—Ag19—S19 | 135.15 (5) | Sb3vi—S12—Ag10 | 102.29 (8) |
S17—Ag19—S19 | 176.77 (7) | Sb3vi—S12—Ag12 | 100.87 (9) |
S2—Ag20—S19 | 92.07 (6) | Sb3vi—S12—Ag14vi | 89.83 (7) |
S2—Ag20—S20 | 89.67 (6) | Sb3vi—S12—Ag30 | 122.43 (9) |
S2—Ag20—S22viii | 131.64 (6) | Ag10—S12—Ag12 | 108.35 (9) |
S19—Ag20—S20 | 93.89 (6) | Ag10—S12—Ag14vi | 87.30 (7) |
S19—Ag20—S22viii | 100.87 (6) | Ag10—S12—Ag30 | 134.70 (9) |
S20—Ag20—S22viii | 134.77 (6) | Ag12—S12—Ag14vi | 158.37 (10) |
Ag29viii—Ag21—Cu3 | 57.77 (3) | Ag12—S12—Ag30 | 72.28 (7) |
Ag29viii—Ag21—S18 | 78.15 (5) | Ag14vi—S12—Ag30 | 86.11 (7) |
Ag29viii—Ag21—S20 | 101.38 (5) | Ag5—S13—Ag6v | 159.60 (10) |
Cu3—Ag21—S18 | 133.94 (5) | Ag5—S13—Ag7 | 93.13 (7) |
Cu3—Ag21—S20 | 47.94 (5) | Ag5—S13—Ag8v | 111.32 (9) |
S18—Ag21—S20 | 173.26 (7) | Ag5—S13—Ag9v | 112.43 (9) |
S9—Ag22—S15x | 158.74 (7) | Ag5—S13—Ag10i | 92.91 (7) |
Ag3—Ag23—Ag3cu | 0 | Ag6v—S13—Ag7 | 69.86 (6) |
Ag3—Ag23—Cu2 | 114.65 (4) | Ag6v—S13—Ag8v | 79.10 (7) |
Ag3—Ag23—S19 | 112.70 (6) | Ag6v—S13—Ag9v | 81.70 (7) |
Ag3—Ag23—S21 | 67.00 (5) | Ag6v—S13—Ag10i | 71.77 (6) |
Ag3cu—Ag23—Cu2 | 114.65 (2) | Ag7—S13—Ag8v | 84.45 (7) |
Ag3cu—Ag23—S19 | 112.70 (5) | Ag7—S13—Ag9v | 150.08 (10) |
Ag3cu—Ag23—S21 | 67.00 (4) | Ag7—S13—Ag10i | 72.83 (6) |
Cu2—Ag23—S19 | 128.75 (5) | Ag8v—S13—Ag9v | 99.52 (8) |
Cu2—Ag23—S21 | 47.98 (4) | Ag8v—S13—Ag10i | 147.72 (9) |
S19—Ag23—S21 | 166.73 (7) | Ag9v—S13—Ag10i | 89.92 (8) |
Cu3—Ag24—S4 | 135.10 (8) | Ag1xi—S14—Ag2xi | 77.92 (8) |
Cu3—Ag24—S18x | 90.18 (6) | Ag1xi—S14—Ag3iv | 162.68 (13) |
Cu3—Ag24—S20 | 46.20 (5) | Ag1xi—S14—Ag3cuiv | 162.68 (12) |
S4—Ag24—S18x | 130.43 (9) | Ag1xi—S14—Ag4iv | 72.70 (8) |
S4—Ag24—S20 | 94.44 (8) | Ag1xi—S14—Ag11vii | 74.40 (8) |
S18x—Ag24—S20 | 134.85 (9) | Ag1xi—S14—Ag12 | 85.27 (9) |
Cu3—Ag25—S11 | 145.89 (6) | Ag2xi—S14—Ag3iv | 111.54 (12) |
Cu3—Ag25—S20 | 47.96 (5) | Ag2xi—S14—Ag3cuiv | 111.54 (11) |
Cu3—Ag25—S22 | 117.48 (5) | Ag2xi—S14—Ag4iv | 147.94 (13) |
S11—Ag25—S20 | 105.18 (6) | Ag2xi—S14—Ag11vii | 86.38 (10) |
S11—Ag25—S22 | 95.58 (6) | Ag2xi—S14—Ag12 | 99.43 (10) |
S20—Ag25—S22 | 151.74 (7) | Ag3iv—S14—Ag3cuiv | 0 |
Cu1xi—Ag26—S10 | 138.40 (5) | Ag3iv—S14—Ag4iv | 94.15 (10) |
Cu1xi—Ag26—S11 | 119.84 (5) | Ag3iv—S14—Ag11vii | 91.33 (10) |
Cu1xi—Ag26—S15x | 91.23 (5) | Ag3iv—S14—Ag12 | 106.59 (13) |
Cu1xi—Ag26—S17xi | 46.18 (4) | Ag3cuiv—S14—Ag4iv | 94.15 (9) |
S10—Ag26—S11 | 76.19 (6) | Ag3cuiv—S14—Ag11vii | 91.33 (9) |
S10—Ag26—S15x | 124.28 (6) | Ag3cuiv—S14—Ag12 | 106.59 (12) |
S10—Ag26—S17xi | 98.45 (6) | Ag4iv—S14—Ag11vii | 73.73 (8) |
S11—Ag26—S15x | 103.07 (7) | Ag4iv—S14—Ag12 | 90.77 (10) |
S11—Ag26—S17xi | 94.07 (6) | Ag11vii—S14—Ag12 | 157.27 (13) |
S15x—Ag26—S17xi | 136.48 (6) | Ag13—S15—Ag16 | 77.22 (6) |
Cu2—Ag27—S10iii | 147.16 (5) | Ag13—S15—Ag22viii | 82.09 (6) |
Cu2—Ag27—S15vi | 114.84 (5) | Ag13—S15—Ag26viii | 129.83 (8) |
Cu2—Ag27—S21 | 47.53 (4) | Ag13—S15—Ag27i | 110.50 (8) |
S10iii—Ag27—S15vi | 97.20 (6) | Ag16—S15—Ag22viii | 133.49 (8) |
S10iii—Ag27—S21 | 105.12 (6) | Ag16—S15—Ag26viii | 84.15 (6) |
S15vi—Ag27—S21 | 152.02 (7) | Ag16—S15—Ag27i | 132.11 (8) |
S5—Ag28—S18x | 157.70 (10) | Ag22viii—S15—Ag26viii | 77.97 (6) |
Ag21x—Ag29—Cu3x | 57.91 (3) | Ag22viii—S15—Ag27i | 94.10 (7) |
Ag21x—Ag29—S6 | 140.99 (7) | Ag26viii—S15—Ag27i | 116.42 (8) |
Ag21x—Ag29—S16vi | 97.69 (5) | Ag5—S16—Ag13 | 66.16 (5) |
Ag21x—Ag29—S22 | 91.01 (5) | Ag5—S16—Ag14 | 147.96 (8) |
Cu3x—Ag29—S6 | 150.23 (6) | Ag5—S16—Ag17 | 93.33 (6) |
Cu3x—Ag29—S16vi | 47.43 (5) | Ag5—S16—Ag29i | 102.48 (7) |
Cu3x—Ag29—S22 | 103.52 (6) | Ag5—S16—Cu3viii | 139.07 (9) |
S6—Ag29—S16vi | 102.84 (7) | Ag13—S16—Ag14 | 145.51 (9) |
S6—Ag29—S22 | 99.20 (7) | Ag13—S16—Ag17 | 71.52 (5) |
S16vi—Ag29—S22 | 131.78 (8) | Ag13—S16—Ag29i | 85.99 (7) |
Cu1xi—Ag30—S12 | 152.18 (5) | Ag13—S16—Cu3viii | 73.00 (6) |
Cu1xi—Ag30—S17xi | 46.94 (4) | Ag14—S16—Ag17 | 94.98 (8) |
Cu1xi—Ag30—S22 | 111.32 (5) | Ag14—S16—Ag29i | 88.25 (8) |
S12—Ag30—S17xi | 108.26 (6) | Ag14—S16—Cu3viii | 72.94 (7) |
S12—Ag30—S22 | 96.47 (6) | Ag17—S16—Ag29i | 144.47 (8) |
S17xi—Ag30—S22 | 144.12 (7) | Ag17—S16—Cu3viii | 75.86 (6) |
Ag16—Cu1—Ag16xii | 153.31 (5) | Ag29i—S16—Cu3viii | 71.34 (6) |
Ag16—Cu1—Ag19 | 63.39 (2) | Ag2—S17—Ag16 | 96.13 (6) |
Ag16—Cu1—Ag19xii | 142.34 (4) | Ag2—S17—Ag19 | 69.68 (5) |
Ag16—Cu1—Ag26ii | 82.78 (3) | Ag2—S17—Ag26ii | 143.41 (7) |
Ag16—Cu1—Ag26viii | 76.68 (3) | Ag2—S17—Ag30ii | 109.16 (7) |
Ag16—Cu1—Ag30ii | 123.58 (2) | Ag2—S17—Cu1 | 143.04 (9) |
Ag16—Cu1—Ag30viii | 66.68 (2) | Ag16—S17—Ag19 | 69.36 (5) |
Ag16—Cu1—S17 | 64.24 (6) | Ag16—S17—Ag26ii | 90.45 (6) |
Ag16—Cu1—S17xii | 117.64 (6) | Ag16—S17—Ag30ii | 145.10 (7) |
Ag16xii—Cu1—Ag16 | 153.31 (5) | Ag16—S17—Cu1 | 71.79 (6) |
Ag16xii—Cu1—Ag19 | 142.34 (4) | Ag19—S17—Ag26ii | 144.81 (8) |
Ag16xii—Cu1—Ag19xii | 63.39 (2) | Ag19—S17—Ag30ii | 96.80 (7) |
Ag16xii—Cu1—Ag26ii | 76.68 (3) | Ag19—S17—Cu1 | 73.39 (6) |
Ag16xii—Cu1—Ag26viii | 82.78 (3) | Ag26ii—S17—Ag30ii | 83.41 (7) |
Ag16xii—Cu1—Ag30ii | 66.68 (2) | Ag26ii—S17—Cu1 | 72.98 (6) |
Ag16xii—Cu1—Ag30viii | 123.58 (2) | Ag30ii—S17—Cu1 | 73.57 (6) |
Ag16xii—Cu1—S17 | 117.64 (6) | Ag17—S18—Ag18 | 135.46 (7) |
Ag16xii—Cu1—S17xii | 64.24 (6) | Ag17—S18—Ag21 | 77.59 (5) |
Ag19—Cu1—Ag19xii | 83.76 (4) | Ag17—S18—Ag24viii | 87.05 (7) |
Ag19—Cu1—Ag26ii | 118.81 (2) | Ag17—S18—Ag28viii | 137.63 (8) |
Ag19—Cu1—Ag26viii | 131.81 (2) | Ag18—S18—Ag21 | 108.54 (7) |
Ag19—Cu1—Ag30ii | 84.07 (3) | Ag18—S18—Ag24viii | 112.54 (8) |
Ag19—Cu1—Ag30viii | 66.20 (3) | Ag18—S18—Ag28viii | 86.81 (7) |
Ag19—Cu1—S17 | 58.79 (6) | Ag21—S18—Ag24viii | 134.06 (9) |
Ag19—Cu1—S17xii | 115.06 (7) | Ag21—S18—Ag28viii | 86.95 (7) |
Ag19xii—Cu1—Ag19 | 83.76 (4) | Ag24viii—S18—Ag28viii | 75.85 (7) |
Ag19xii—Cu1—Ag26ii | 131.81 (2) | Ag14x—S19—Ag15x | 75.98 (6) |
Ag19xii—Cu1—Ag26viii | 118.81 (2) | Ag14x—S19—Ag19 | 131.41 (9) |
Ag19xii—Cu1—Ag30ii | 66.20 (3) | Ag14x—S19—Ag20 | 92.41 (7) |
Ag19xii—Cu1—Ag30viii | 84.07 (3) | Ag14x—S19—Ag23 | 114.34 (8) |
Ag19xii—Cu1—S17 | 115.06 (7) | Ag15x—S19—Ag19 | 81.76 (6) |
Ag19xii—Cu1—S17xii | 58.79 (6) | Ag15x—S19—Ag20 | 133.86 (7) |
Ag26ii—Cu1—Ag26viii | 79.06 (4) | Ag15x—S19—Ag23 | 86.31 (6) |
Ag26ii—Cu1—Ag30ii | 74.13 (3) | Ag19—S19—Ag20 | 73.06 (5) |
Ag26ii—Cu1—Ag30viii | 143.00 (4) | Ag19—S19—Ag23 | 106.55 (7) |
Ag26ii—Cu1—S17 | 60.84 (6) | Ag20—S19—Ag23 | 137.45 (8) |
Ag26ii—Cu1—S17xii | 125.82 (7) | Ag20—S20—Ag21 | 71.62 (5) |
Ag26viii—Cu1—Ag26ii | 79.06 (4) | Ag20—S20—Ag24 | 93.72 (7) |
Ag26viii—Cu1—Ag30ii | 143.00 (4) | Ag20—S20—Ag25 | 146.44 (8) |
Ag26viii—Cu1—Ag30viii | 74.13 (3) | Ag20—S20—Cu3 | 74.97 (6) |
Ag26viii—Cu1—S17 | 125.82 (7) | Ag21—S20—Ag24 | 144.71 (8) |
Ag26viii—Cu1—S17xii | 60.84 (6) | Ag21—S20—Ag25 | 96.99 (7) |
Ag30ii—Cu1—Ag30viii | 140.19 (6) | Ag21—S20—Cu3 | 73.66 (6) |
Ag30ii—Cu1—S17 | 59.49 (6) | Ag24—S20—Ag25 | 77.45 (6) |
Ag30ii—Cu1—S17xii | 117.67 (6) | Ag24—S20—Cu3 | 71.54 (7) |
Ag30viii—Cu1—Ag30ii | 140.19 (6) | Ag25—S20—Cu3 | 71.52 (6) |
Ag30viii—Cu1—S17 | 117.67 (6) | Ag18iii—S21—Ag23 | 109.70 (7) |
Ag30viii—Cu1—S17xii | 59.49 (6) | Ag18iii—S21—Ag27 | 111.50 (8) |
S17—Cu1—S17xii | 172.71 (10) | Ag18iii—S21—Cu2 | 75.28 (6) |
S17xii—Cu1—S17 | 172.71 (10) | Ag23—S21—Ag27 | 116.61 (8) |
Ag18iii—Cu2—Ag18x | 150.33 (6) | Ag23—S21—Cu2 | 73.10 (6) |
Ag18iii—Cu2—Ag23 | 92.49 (4) | Ag27—S21—Cu2 | 73.42 (7) |
Ag18iii—Cu2—Ag23xii | 67.64 (3) | Ag16x—S22—Ag17x | 77.22 (5) |
Ag18iii—Cu2—Ag27 | 93.80 (3) | Ag16x—S22—Ag20x | 80.40 (5) |
Ag18iii—Cu2—Ag27xii | 110.45 (3) | Ag16x—S22—Ag25 | 94.39 (6) |
Ag18iii—Cu2—S21 | 57.51 (6) | Ag16x—S22—Ag29 | 162.72 (7) |
Ag18iii—Cu2—S21xii | 120.84 (6) | Ag16x—S22—Ag30 | 76.15 (6) |
Ag18x—Cu2—Ag18iii | 150.33 (6) | Ag17x—S22—Ag20x | 79.52 (5) |
Ag18x—Cu2—Ag23 | 67.64 (3) | Ag17x—S22—Ag25 | 71.94 (5) |
Ag18x—Cu2—Ag23xii | 92.49 (4) | Ag17x—S22—Ag29 | 94.91 (7) |
Ag18x—Cu2—Ag27 | 110.45 (3) | Ag17x—S22—Ag30 | 153.07 (8) |
Ag18x—Cu2—Ag27xii | 93.80 (3) | Ag20x—S22—Ag25 | 151.43 (8) |
Ag18x—Cu2—S21 | 120.84 (6) | Ag20x—S22—Ag29 | 83.06 (6) |
Ag18x—Cu2—S21xii | 57.51 (6) | Ag20x—S22—Ag30 | 99.88 (7) |
Ag23—Cu2—Ag23xii | 97.68 (5) | Ag25—S22—Ag29 | 97.76 (7) |
Ag23—Cu2—Ag27 | 99.18 (2) | Ag25—S22—Ag30 | 106.14 (7) |
Ag23—Cu2—Ag27xii | 155.40 (3) | Ag29—S22—Ag30 | 111.82 (7) |
Ag23—Cu2—S21 | 58.91 (6) |
Symmetry codes: (i) x, y−1, z; (ii) x−1/2, y−1/2, z; (iii) x−1/2, y+1/2, z; (iv) −x+1/2, −y+3/2, −z; (v) −x+1/2, −y+1/2, −z; (vi) x, y+1, z; (vii) −x+1, −y+1, −z; (viii) −x+1/2, y−1/2, −z+1/2; (ix) x+1/2, y−1/2, z; (x) −x+1/2, y+1/2, −z+1/2; (xi) x+1/2, y+1/2, z; (xii) −x, y, −z+1/2. |
Experimental details
(polybasite221) | (polybasite222) | |
Crystal data | ||
Chemical formula | Ag14.52Cu1.48S11Sb2 | Ag14.814Cu1.186S11Sb2 |
Mr | 2256.5 | 2269.5 |
Crystal system, space group | Trigonal, P321 | Monoclinic, C2/c |
Temperature (K) | 120 | 100 |
a, b, c (Å) | 15.0954 (12), 15.0954 (12), 11.8825 (8) | 26.188 (3), 15.1199 (18), 23.784 (3) |
α, β, γ (°) | 90, 90, 120 | 90, 90, 90 |
V (Å3) | 2344.9 (3) | 9418 (2) |
Z | 4 | 16 |
Radiation type | Mo Kα | Mo Kα |
µ (mm−1) | 16.32 | 16.25 |
Crystal size (mm) | 0.14 × 0.08 × 0.06 | 0.15 × 0.12 × 0.09 |
Data collection | ||
Diffractometer | Nonius CCD diffractometer | Nonius CCD diffractometer |
Absorption correction | Gaussian (Jana2000; Petricek, Dusek & Palatinus, 2000) | Gaussian (Jana2000; Petricek, Dusek & Palatinus, 2000) |
Tmin, Tmax | 0.196, 0.417 | 0.186, 0.268 |
No. of measured, independent and observed [I > 2σ(I)] reflections | ?, 6847, 6224 | ?, 43813, 38767 |
Rint | 0.063 | 0.073 |
(sin θ/λ)max (Å−1) | 0.807 | 0.827 |
Refinement | ||
R[F2 > 2σ(F2)], wR(F2), S | 0.036, 0.046, 1.41 | 0.050, 0.057, 1.48 |
No. of reflections | 6847 | 43813 |
No. of parameters | 224 | 592 |
No. of restraints | ? | ? |
Δρmax, Δρmin (e Å−3) | 1.05, −0.81 | 1.15, −1.10 |
Computer programs: (Jana2000; Petricek and Dusek, 2000).
Selected geometric parameters (Å, º) for (polybasite221) top
Sb1—S1 | 2.4127 (17) | Ag4—S4vi | 2.609 (2) |
Sb1—S1i | 2.4127 (16) | Ag4—S9 | 2.502 (3) |
Sb1—S1ii | 2.413 (3) | Ag5—Cu1i | 2.9790 (14) |
Sb2—S2iii | 2.4392 (15) | Ag5—S1 | 2.6058 (17) |
Sb2—S3 | 2.422 (3) | Ag5—S5 | 2.744 (2) |
Sb2—S4 | 2.4095 (16) | Ag5—S7 | 2.8747 (14) |
Ag1—Ag1iv | 2.9227 (9) | Ag5—S8 | 2.5800 (18) |
Ag1—S1 | 2.537 (2) | Ag6—S2iii | 2.425 (2) |
Ag1—S3 | 2.5324 (18) | Ag6—S7vii | 2.4065 (18) |
Ag1—S9 | 2.556 (2) | Ag7—Cu2 | 2.8083 (5) |
Ag2—Ag2cu | 0 | Ag7—S3 | 2.9156 (17) |
Ag2—S1 | 2.4133 (18) | Ag7—S6 | 2.4891 (8) |
Ag2—S2 | 2.4810 (19) | Ag7—S7 | 2.4552 (17) |
Ag2—S5ii | 2.977 (2) | Ag8—Cu1vii | 2.8103 (18) |
Ag2—S9ii | 2.437 (3) | Ag8—S4 | 2.638 (3) |
Ag2cu—S1 | 2.4133 (17) | Ag8—S5viii | 2.546 (3) |
Ag2cu—S2 | 2.4810 (18) | Ag8—S8vii | 2.5442 (16) |
Ag2cu—S5ii | 2.977 (2) | Ag9—Cu1 | 2.7868 (11) |
Ag2cu—S9ii | 2.437 (3) | Ag9—S5ii | 2.490 (3) |
Ag3—Ag3cu | 0 | Ag9—S7 | 2.429 (2) |
Ag3—S2 | 2.497 (3) | Ag10—Cu1i | 2.8743 (15) |
Ag3—S3 | 2.486 (2) | Ag10—S3 | 2.704 (2) |
Ag3—S10 | 2.088 (6) | Ag10—S5 | 2.6192 (18) |
Ag3—S10v | 2.462 (8) | Ag10—S7vii | 2.533 (2) |
Ag3—S10iii | 2.756 (7) | Cu1—S5ii | 2.1663 (13) |
Ag3cu—S2 | 2.497 (2) | Cu1—S5ix | 2.1663 (13) |
Ag3cu—S3 | 2.4855 (17) | Cu2—S6 | 2.152 (2) |
Ag3cu—S10 | 2.088 (6) | Cu2—S6vii | 2.152 (2) |
Ag3cu—S10v | 2.462 (8) | S10—S10v | 0.844 (11) |
Ag3cu—S10iii | 2.756 (7) | S10—S10iii | 0.844 (11) |
Ag4—S4 | 2.4786 (18) | ||
S1—Sb1—S1i | 96.37 (7) | Ag1—S3—Ag3cu | 119.29 (9) |
S1—Sb1—S1ii | 96.37 (7) | Ag1—S3—Ag7 | 129.77 (9) |
S1i—Sb1—S1 | 96.37 (7) | Ag1—S3—Ag10 | 88.71 (5) |
S1i—Sb1—S1ii | 96.37 (8) | Ag3—S3—Ag3cu | 0 |
S1ii—Sb1—S1 | 96.37 (7) | Ag3—S3—Ag7 | 69.80 (6) |
S1ii—Sb1—S1i | 96.37 (8) | Ag3—S3—Ag10 | 140.33 (8) |
S2iii—Sb2—S3 | 96.56 (7) | Ag3cu—S3—Ag7 | 69.80 (4) |
S2iii—Sb2—S4 | 97.37 (7) | Ag3cu—S3—Ag10 | 140.33 (7) |
S3—Sb2—S4 | 93.30 (7) | Ag7—S3—Ag10 | 70.63 (5) |
Ag1iv—Ag1—S1 | 149.18 (5) | Sb2—S4—Ag4 | 101.11 (7) |
Ag1iv—Ag1—S3 | 94.25 (5) | Sb2—S4—Ag4viii | 99.67 (6) |
Ag1iv—Ag1—S9 | 55.12 (5) | Sb2—S4—Ag8 | 124.89 (7) |
S1—Ag1—S3 | 98.74 (6) | Ag4—S4—Ag4viii | 110.07 (6) |
S1—Ag1—S9 | 122.35 (8) | Ag4—S4—Ag8 | 132.63 (7) |
S3—Ag1—S9 | 138.06 (10) | Ag4viii—S4—Ag4 | 110.07 (6) |
Ag2cu—Ag2—S1 | 0 | Ag4viii—S4—Ag8 | 75.59 (8) |
Ag2cu—Ag2—S2 | 0 | Ag2i—S5—Ag2cui | 0 |
Ag2cu—Ag2—S5ii | 0 | Ag2i—S5—Ag5 | 93.84 (6) |
Ag2cu—Ag2—S9ii | 0 | Ag2i—S5—Ag8vi | 107.12 (6) |
S1—Ag2—S2 | 112.77 (7) | Ag2i—S5—Ag9i | 66.58 (4) |
S1—Ag2—S5ii | 101.51 (6) | Ag2i—S5—Ag10 | 147.00 (6) |
S1—Ag2—S9ii | 130.28 (7) | Ag2i—S5—Cu1i | 139.71 (6) |
S2—Ag2—S5ii | 98.12 (6) | Ag2cui—S5—Ag5 | 93.84 (6) |
S2—Ag2—S9ii | 113.31 (7) | Ag2cui—S5—Ag8vi | 107.12 (6) |
S5ii—Ag2—S9ii | 89.57 (8) | Ag2cui—S5—Ag9i | 66.58 (4) |
Ag2—Ag2cu—S1 | 0 | Ag2cui—S5—Ag10 | 147.00 (6) |
Ag2—Ag2cu—S2 | 0 | Ag2cui—S5—Cu1i | 139.71 (6) |
Ag2—Ag2cu—S5ii | 0 | Ag5—S5—Ag8vi | 145.55 (6) |
Ag2—Ag2cu—S9ii | 0 | Ag5—S5—Ag9i | 70.43 (5) |
S1—Ag2cu—S2 | 112.77 (6) | Ag5—S5—Ag10 | 94.36 (7) |
S1—Ag2cu—S5ii | 101.51 (6) | Ag5—S5—Cu1i | 73.64 (6) |
S1—Ag2cu—S9ii | 130.28 (7) | Ag8vi—S5—Ag9i | 92.82 (6) |
S2—Ag2cu—S5ii | 98.12 (5) | Ag8vi—S5—Ag10 | 82.85 (8) |
S2—Ag2cu—S9ii | 113.31 (7) | Ag8vi—S5—Cu1i | 72.71 (7) |
S5ii—Ag2cu—S9ii | 89.57 (8) | Ag9i—S5—Ag10 | 145.76 (6) |
Ag3cu—Ag3—S2 | 0 | Ag9i—S5—Cu1i | 73.16 (5) |
Ag3cu—Ag3—S3 | 0 | Ag10—S5—Cu1i | 73.14 (5) |
Ag3cu—Ag3—S10 | 0 | Ag7—S6—Ag7v | 112.77 (5) |
Ag3cu—Ag3—S10v | 0 | Ag7—S6—Ag7iii | 112.77 (5) |
Ag3cu—Ag3—S10iii | 0 | Ag7—S6—Cu2 | 74.08 (5) |
S2—Ag3—S3 | 104.11 (9) | Ag7v—S6—Ag7 | 112.77 (5) |
S2—Ag3—S10 | 134.4 (3) | Ag7v—S6—Ag7iii | 112.77 (5) |
S2—Ag3—S10v | 116.7 (3) | Ag7v—S6—Cu2 | 74.08 (5) |
S2—Ag3—S10iii | 133.0 (3) | Ag7iii—S6—Ag7 | 112.77 (5) |
S3—Ag3—S10 | 119.8 (3) | Ag7iii—S6—Ag7v | 112.77 (5) |
S3—Ag3—S10v | 138.7 (3) | Ag7iii—S6—Cu2 | 74.08 (6) |
S3—Ag3—S10iii | 122.8 (3) | Ag5—S7—Ag6vii | 135.37 (8) |
S10—Ag3—S10v | 19.2 (3) | Ag5—S7—Ag7 | 134.50 (6) |
S10—Ag3—S10iii | 12.33 (17) | Ag5—S7—Ag9 | 75.74 (5) |
S10v—Ag3—S10 | 19.2 (3) | Ag5—S7—Ag10vii | 87.16 (5) |
S10v—Ag3—S10iii | 17.5 (4) | Ag6vii—S7—Ag7 | 89.36 (6) |
S10iii—Ag3—S10 | 12.33 (17) | Ag6vii—S7—Ag9 | 83.53 (8) |
S10iii—Ag3—S10v | 17.5 (4) | Ag6vii—S7—Ag10vii | 76.82 (6) |
Ag3—Ag3cu—S2 | 0 | Ag7—S7—Ag9 | 108.23 (6) |
Ag3—Ag3cu—S3 | 0 | Ag7—S7—Ag10vii | 116.56 (9) |
Ag3—Ag3cu—S10 | 0 | Ag9—S7—Ag10vii | 130.32 (9) |
Ag3—Ag3cu—S10v | 0 | Ag5—S8—Ag5i | 78.60 (7) |
Ag3—Ag3cu—S10iii | 0 | Ag5—S8—Ag5ii | 78.60 (7) |
S2—Ag3cu—S3 | 104.11 (6) | Ag5—S8—Ag8vii | 95.68 (5) |
S2—Ag3cu—S10 | 134.4 (3) | Ag5—S8—Ag8xii | 77.54 (5) |
S2—Ag3cu—S10v | 116.7 (3) | Ag5—S8—Ag8ix | 156.13 (8) |
S2—Ag3cu—S10iii | 133.0 (3) | Ag5i—S8—Ag5 | 78.60 (7) |
S3—Ag3cu—S10 | 119.8 (3) | Ag5i—S8—Ag5ii | 78.61 (6) |
S3—Ag3cu—S10v | 138.7 (3) | Ag5i—S8—Ag8vii | 156.13 (8) |
S3—Ag3cu—S10iii | 122.8 (3) | Ag5i—S8—Ag8xii | 95.68 (4) |
S10—Ag3cu—S10v | 19.2 (3) | Ag5i—S8—Ag8ix | 77.54 (4) |
S10—Ag3cu—S10iii | 12.33 (17) | Ag5ii—S8—Ag5 | 78.60 (7) |
S10v—Ag3cu—S10 | 19.2 (3) | Ag5ii—S8—Ag5i | 78.61 (6) |
S10v—Ag3cu—S10iii | 17.5 (4) | Ag5ii—S8—Ag8vii | 77.54 (4) |
S10iii—Ag3cu—S10 | 12.33 (17) | Ag5ii—S8—Ag8xii | 156.13 (9) |
S10iii—Ag3cu—S10v | 17.5 (4) | Ag5ii—S8—Ag8ix | 95.68 (6) |
S4—Ag4—S4vi | 105.05 (7) | Ag8vii—S8—Ag8xii | 105.78 (8) |
S4—Ag4—S9 | 145.08 (7) | Ag8vii—S8—Ag8ix | 105.78 (9) |
S4vi—Ag4—S4 | 105.05 (7) | Ag8xii—S8—Ag8vii | 105.78 (8) |
S4vi—Ag4—S9 | 109.86 (7) | Ag8xii—S8—Ag8ix | 105.78 (10) |
Cu1i—Ag5—S1 | 129.00 (6) | Ag8ix—S8—Ag8vii | 105.78 (9) |
Cu1i—Ag5—S5 | 44.25 (3) | Ag8ix—S8—Ag8xii | 105.78 (10) |
Cu1i—Ag5—S7 | 79.87 (5) | Ag1—S9—Ag1iv | 69.75 (5) |
Cu1i—Ag5—S8 | 104.02 (4) | Ag1—S9—Ag2i | 86.60 (6) |
S1—Ag5—S5 | 88.60 (6) | Ag1—S9—Ag2xiii | 156.35 (9) |
S1—Ag5—S7 | 89.29 (4) | Ag1—S9—Ag2cui | 86.60 (6) |
S1—Ag5—S8 | 126.90 (7) | Ag1—S9—Ag2cuxiii | 156.35 (9) |
S5—Ag5—S7 | 95.93 (5) | Ag1—S9—Ag4 | 76.39 (5) |
S5—Ag5—S8 | 138.47 (4) | Ag1—S9—Ag4iv | 77.85 (8) |
S7—Ag5—S8 | 104.28 (5) | Ag1iv—S9—Ag1 | 69.75 (5) |
S2iii—Ag6—S7vii | 158.12 (7) | Ag1iv—S9—Ag2i | 156.35 (9) |
Cu2—Ag7—S3 | 143.83 (5) | Ag1iv—S9—Ag2xiii | 86.60 (6) |
Cu2—Ag7—S6 | 47.46 (5) | Ag1iv—S9—Ag2cui | 156.35 (9) |
Cu2—Ag7—S7 | 120.47 (4) | Ag1iv—S9—Ag2cuxiii | 86.60 (6) |
S3—Ag7—S6 | 101.89 (6) | Ag1iv—S9—Ag4 | 77.85 (8) |
S3—Ag7—S7 | 94.62 (5) | Ag1iv—S9—Ag4iv | 76.39 (5) |
S6—Ag7—S7 | 158.03 (6) | Ag2i—S9—Ag2xiii | 117.05 (8) |
Cu1vii—Ag8—S4 | 151.33 (6) | Ag2i—S9—Ag2cui | 0 |
Cu1vii—Ag8—S5viii | 47.39 (5) | Ag2i—S9—Ag2cuxiii | 117.05 (8) |
Cu1vii—Ag8—S8vii | 109.97 (7) | Ag2i—S9—Ag4 | 97.10 (4) |
S4—Ag8—S5viii | 105.70 (7) | Ag2i—S9—Ag4iv | 99.22 (12) |
S4—Ag8—S8vii | 97.84 (7) | Ag2xiii—S9—Ag2i | 117.05 (8) |
S5viii—Ag8—S8vii | 140.63 (11) | Ag2xiii—S9—Ag2cui | 117.05 (8) |
Cu1—Ag9—S5ii | 48.07 (4) | Ag2xiii—S9—Ag2cuxiii | 0 |
Cu1—Ag9—S7 | 136.30 (4) | Ag2xiii—S9—Ag4 | 99.22 (12) |
S5ii—Ag9—S7 | 173.36 (5) | Ag2xiii—S9—Ag4iv | 97.10 (4) |
Cu1i—Ag10—S3 | 137.70 (9) | Ag2cui—S9—Ag2cuxiii | 117.05 (8) |
Cu1i—Ag10—S5 | 46.16 (4) | Ag2cui—S9—Ag4 | 97.10 (3) |
Cu1i—Ag10—S7vii | 87.83 (5) | Ag2cui—S9—Ag4iv | 99.22 (12) |
S3—Ag10—S5 | 99.06 (7) | Ag2cuxiii—S9—Ag2cui | 117.05 (8) |
S3—Ag10—S7vii | 125.66 (7) | Ag2cuxiii—S9—Ag4 | 99.22 (12) |
S5—Ag10—S7vii | 133.35 (7) | Ag2cuxiii—S9—Ag4iv | 97.10 (3) |
Ag5ii—Cu1—Ag5ix | 158.40 (5) | Ag4—S9—Ag4iv | 148.46 (9) |
Ag5ii—Cu1—Ag8v | 121.57 (3) | Ag4iv—S9—Ag4 | 148.46 (9) |
Ag5ii—Cu1—Ag8vii | 67.25 (3) | Ag3—S10—Ag3v | 85.5 (2) |
Ag5ii—Cu1—Ag9 | 63.19 (2) | Ag3—S10—Ag3iv | 109.7 (3) |
Ag5ii—Cu1—Ag9x | 137.80 (4) | Ag3—S10—Ag3iii | 93.49 (16) |
Ag5ii—Cu1—Ag10ii | 84.47 (5) | Ag3—S10—Ag3xiv | 101.1 (4) |
Ag5ii—Cu1—Ag10ix | 79.31 (5) | Ag3—S10—Ag3xv | 164.7 (3) |
Ag5ii—Cu1—S5ii | 62.12 (5) | Ag3—S10—Ag3cu | 0 |
Ag5ii—Cu1—S5ix | 119.79 (5) | Ag3—S10—Ag3cuv | 85.5 (2) |
Ag5ix—Cu1—Ag5ii | 158.40 (5) | Ag3—S10—Ag3cuiv | 109.7 (3) |
Ag5ix—Cu1—Ag8v | 67.25 (4) | Ag3—S10—Ag3cuiii | 93.49 (15) |
Ag5ix—Cu1—Ag8vii | 121.57 (3) | Ag3—S10—Ag3cuxiv | 101.1 (4) |
Ag5ix—Cu1—Ag9 | 137.80 (4) | Ag3—S10—Ag3cuxv | 164.7 (3) |
Ag5ix—Cu1—Ag9x | 63.19 (2) | Ag3—S10—S10v | 106.3 (9) |
Ag5ix—Cu1—Ag10ii | 79.31 (5) | Ag3—S10—S10iii | 135.77 (19) |
Ag5ix—Cu1—Ag10ix | 84.47 (5) | Ag3v—S10—Ag3 | 85.5 (2) |
Ag5ix—Cu1—S5ii | 119.79 (6) | Ag3v—S10—Ag3iv | 164.7 (3) |
Ag5ix—Cu1—S5ix | 62.12 (6) | Ag3v—S10—Ag3iii | 78.91 (16) |
Ag8v—Cu1—Ag8vii | 137.15 (8) | Ag3v—S10—Ag3xiv | 81.5 (3) |
Ag8v—Cu1—Ag9 | 81.34 (6) | Ag3v—S10—Ag3xv | 79.44 (19) |
Ag8v—Cu1—Ag9x | 65.53 (5) | Ag3v—S10—Ag3cu | 85.5 (2) |
Ag8v—Cu1—Ag10ii | 73.92 (6) | Ag3v—S10—Ag3cuv | 0 |
Ag8v—Cu1—Ag10ix | 145.74 (8) | Ag3v—S10—Ag3cuiv | 164.7 (3) |
Ag8v—Cu1—S5ii | 59.90 (5) | Ag3v—S10—Ag3cuiii | 78.91 (15) |
Ag8v—Cu1—S5ix | 116.40 (5) | Ag3v—S10—Ag3cuxiv | 81.5 (3) |
Ag8vii—Cu1—Ag8v | 137.15 (8) | Ag3v—S10—Ag3cuxv | 79.44 (18) |
Ag8vii—Cu1—Ag9 | 65.53 (4) | Ag3v—S10—S10v | 31.90 (15) |
Ag8vii—Cu1—Ag9x | 81.34 (4) | Ag3v—S10—S10iii | 61.1 (9) |
Ag8vii—Cu1—Ag10ii | 145.74 (6) | Ag3iv—S10—Ag3 | 109.7 (3) |
Ag8vii—Cu1—Ag10ix | 73.92 (7) | Ag3iv—S10—Ag3v | 164.7 (3) |
Ag8vii—Cu1—S5ii | 116.40 (7) | Ag3iv—S10—Ag3iii | 101.1 (4) |
Ag8vii—Cu1—S5ix | 59.90 (7) | Ag3iv—S10—Ag3xiv | 93.49 (16) |
Ag9—Cu1—Ag9x | 78.72 (3) | Ag3iv—S10—Ag3xv | 85.5 (2) |
Ag9—Cu1—Ag10ii | 119.19 (4) | Ag3iv—S10—Ag3cu | 109.7 (3) |
Ag9—Cu1—Ag10ix | 132.50 (5) | Ag3iv—S10—Ag3cuv | 164.7 (3) |
Ag9—Cu1—S5ii | 58.76 (7) | Ag3iv—S10—Ag3cuiv | 0 |
Ag9—Cu1—S5ix | 113.45 (7) | Ag3iv—S10—Ag3cuiii | 101.1 (4) |
Ag9x—Cu1—Ag9 | 78.72 (3) | Ag3iv—S10—Ag3cuxiv | 93.49 (15) |
Ag9x—Cu1—Ag10ii | 132.50 (4) | Ag3iv—S10—Ag3cuxv | 85.5 (2) |
Ag9x—Cu1—Ag10ix | 119.19 (3) | Ag3iv—S10—S10v | 135.77 (19) |
Ag9x—Cu1—S5ii | 113.45 (5) | Ag3iv—S10—S10iii | 106.3 (9) |
Ag9x—Cu1—S5ix | 58.76 (4) | Ag3iii—S10—Ag3 | 93.49 (16) |
Ag10ii—Cu1—Ag10ix | 82.43 (6) | Ag3iii—S10—Ag3v | 78.91 (16) |
Ag10ii—Cu1—S5ii | 60.70 (8) | Ag3iii—S10—Ag3iv | 101.1 (4) |
Ag10ii—Cu1—S5ix | 127.35 (8) | Ag3iii—S10—Ag3xiv | 154.5 (3) |
Ag10ix—Cu1—Ag10ii | 82.43 (6) | Ag3iii—S10—Ag3xv | 81.5 (3) |
Ag10ix—Cu1—S5ii | 127.35 (6) | Ag3iii—S10—Ag3cu | 93.49 (15) |
Ag10ix—Cu1—S5ix | 60.70 (5) | Ag3iii—S10—Ag3cuv | 78.91 (15) |
S5ii—Cu1—S5ix | 171.05 (9) | Ag3iii—S10—Ag3cuiv | 101.1 (4) |
S5ix—Cu1—S5ii | 171.05 (9) | Ag3iii—S10—Ag3cuiii | 0 |
Ag7—Cu2—Ag7v | 95.15 (2) | Ag3iii—S10—Ag3cuxiv | 154.5 (3) |
Ag7—Cu2—Ag7vii | 68.524 (18) | Ag3iii—S10—Ag3cuxv | 81.5 (3) |
Ag7—Cu2—Ag7iii | 95.15 (2) | Ag3iii—S10—S10v | 101.4 (9) |
Ag7—Cu2—Ag7x | 107.16 (2) | Ag3iii—S10—S10iii | 54.5 (8) |
Ag7—Cu2—Ag7xi | 153.08 (3) | Ag3xiv—S10—Ag3 | 101.1 (4) |
Ag7—Cu2—S6 | 58.467 (12) | Ag3xiv—S10—Ag3v | 81.5 (3) |
Ag7—Cu2—S6vii | 121.533 (12) | Ag3xiv—S10—Ag3iv | 93.49 (16) |
Ag7v—Cu2—Ag7 | 95.15 (2) | Ag3xiv—S10—Ag3iii | 154.5 (3) |
Ag7v—Cu2—Ag7vii | 153.08 (3) | Ag3xiv—S10—Ag3xv | 78.91 (16) |
Ag7v—Cu2—Ag7iii | 95.15 (3) | Ag3xiv—S10—Ag3cu | 101.1 (4) |
Ag7v—Cu2—Ag7x | 68.52 (2) | Ag3xiv—S10—Ag3cuv | 81.5 (3) |
Ag7v—Cu2—Ag7xi | 107.16 (2) | Ag3xiv—S10—Ag3cuiv | 93.49 (15) |
Ag7v—Cu2—S6 | 58.467 (13) | Ag3xiv—S10—Ag3cuiii | 154.5 (3) |
Ag7v—Cu2—S6vii | 121.533 (13) | Ag3xiv—S10—Ag3cuxiv | 0 |
Ag7vii—Cu2—Ag7 | 68.524 (18) | Ag3xiv—S10—Ag3cuxv | 78.91 (15) |
Ag7vii—Cu2—Ag7v | 153.08 (3) | Ag3xiv—S10—S10v | 54.5 (8) |
Ag7vii—Cu2—Ag7iii | 107.16 (2) | Ag3xiv—S10—S10iii | 101.4 (9) |
Ag7vii—Cu2—Ag7x | 95.15 (2) | Ag3xv—S10—Ag3 | 164.7 (3) |
Ag7vii—Cu2—Ag7xi | 95.15 (2) | Ag3xv—S10—Ag3v | 79.44 (19) |
Ag7vii—Cu2—S6 | 121.533 (12) | Ag3xv—S10—Ag3iv | 85.5 (2) |
Ag7vii—Cu2—S6vii | 58.467 (12) | Ag3xv—S10—Ag3iii | 81.5 (3) |
Ag7iii—Cu2—Ag7 | 95.15 (2) | Ag3xv—S10—Ag3xiv | 78.91 (16) |
Ag7iii—Cu2—Ag7v | 95.15 (3) | Ag3xv—S10—Ag3cu | 164.7 (3) |
Ag7iii—Cu2—Ag7vii | 107.16 (2) | Ag3xv—S10—Ag3cuv | 79.44 (18) |
Ag7iii—Cu2—Ag7x | 153.08 (2) | Ag3xv—S10—Ag3cuiv | 85.5 (2) |
Ag7iii—Cu2—Ag7xi | 68.52 (2) | Ag3xv—S10—Ag3cuiii | 81.5 (3) |
Ag7iii—Cu2—S6 | 58.467 (15) | Ag3xv—S10—Ag3cuxiv | 78.91 (15) |
Ag7iii—Cu2—S6vii | 121.533 (15) | Ag3xv—S10—Ag3cuxv | 0 |
Ag7x—Cu2—Ag7 | 107.16 (2) | Ag3xv—S10—S10v | 61.1 (9) |
Ag7x—Cu2—Ag7v | 68.52 (2) | Ag3xv—S10—S10iii | 31.90 (15) |
Ag7x—Cu2—Ag7vii | 95.15 (2) | Ag3cu—S10—Ag3cuv | 85.5 (2) |
Ag7x—Cu2—Ag7iii | 153.08 (2) | Ag3cu—S10—Ag3cuiv | 109.7 (3) |
Ag7x—Cu2—Ag7xi | 95.15 (3) | Ag3cu—S10—Ag3cuiii | 93.49 (14) |
Ag7x—Cu2—S6 | 121.533 (15) | Ag3cu—S10—Ag3cuxiv | 101.1 (4) |
Ag7x—Cu2—S6vii | 58.467 (15) | Ag3cu—S10—Ag3cuxv | 164.7 (3) |
Ag7xi—Cu2—Ag7 | 153.08 (3) | Ag3cu—S10—S10v | 106.3 (9) |
Ag7xi—Cu2—Ag7v | 107.16 (2) | Ag3cu—S10—S10iii | 135.77 (19) |
Ag7xi—Cu2—Ag7vii | 95.15 (2) | Ag3cuv—S10—Ag3cu | 85.5 (2) |
Ag7xi—Cu2—Ag7iii | 68.52 (2) | Ag3cuv—S10—Ag3cuiv | 164.7 (3) |
Ag7xi—Cu2—Ag7x | 95.15 (3) | Ag3cuv—S10—Ag3cuiii | 78.91 (14) |
Ag7xi—Cu2—S6 | 121.533 (13) | Ag3cuv—S10—Ag3cuxiv | 81.5 (3) |
Ag7xi—Cu2—S6vii | 58.467 (13) | Ag3cuv—S10—Ag3cuxv | 79.44 (17) |
S6—Cu2—S6vii | 180 | Ag3cuv—S10—S10v | 31.90 (15) |
S6vii—Cu2—S6 | 180 | Ag3cuv—S10—S10iii | 61.1 (9) |
Sb1—S1—Ag1 | 102.21 (6) | Ag3cuiv—S10—Ag3cu | 109.7 (3) |
Sb1—S1—Ag2 | 101.31 (8) | Ag3cuiv—S10—Ag3cuv | 164.7 (3) |
Sb1—S1—Ag2cu | 101.31 (8) | Ag3cuiv—S10—Ag3cuiii | 101.1 (4) |
Sb1—S1—Ag5 | 108.73 (6) | Ag3cuiv—S10—Ag3cuxiv | 93.49 (14) |
Ag1—S1—Ag2 | 114.28 (7) | Ag3cuiv—S10—Ag3cuxv | 85.5 (2) |
Ag1—S1—Ag2cu | 114.28 (6) | Ag3cuiv—S10—S10v | 135.77 (19) |
Ag1—S1—Ag5 | 101.10 (8) | Ag3cuiv—S10—S10iii | 106.3 (9) |
Ag2—S1—Ag2cu | 0 | Ag3cuiii—S10—Ag3cu | 93.49 (14) |
Ag2—S1—Ag5 | 126.80 (7) | Ag3cuiii—S10—Ag3cuv | 78.91 (14) |
Ag2cu—S1—Ag5 | 126.80 (7) | Ag3cuiii—S10—Ag3cuiv | 101.1 (4) |
Sb2v—S2—Ag2 | 100.30 (8) | Ag3cuiii—S10—Ag3cuxiv | 154.5 (3) |
Sb2v—S2—Ag2cu | 100.30 (8) | Ag3cuiii—S10—Ag3cuxv | 81.5 (3) |
Sb2v—S2—Ag3 | 100.21 (7) | Ag3cuiii—S10—S10v | 101.4 (9) |
Sb2v—S2—Ag3cu | 100.21 (6) | Ag3cuiii—S10—S10iii | 54.5 (8) |
Sb2v—S2—Ag6v | 102.21 (7) | Ag3cuxiv—S10—Ag3cu | 101.1 (4) |
Ag2—S2—Ag2cu | 0 | Ag3cuxiv—S10—Ag3cuv | 81.5 (3) |
Ag2—S2—Ag3 | 110.65 (7) | Ag3cuxiv—S10—Ag3cuiv | 93.49 (14) |
Ag2—S2—Ag3cu | 110.65 (6) | Ag3cuxiv—S10—Ag3cuiii | 154.5 (3) |
Ag2—S2—Ag6v | 119.51 (10) | Ag3cuxiv—S10—Ag3cuxv | 78.91 (14) |
Ag2cu—S2—Ag3 | 110.65 (7) | Ag3cuxiv—S10—S10v | 54.5 (8) |
Ag2cu—S2—Ag3cu | 110.65 (6) | Ag3cuxiv—S10—S10iii | 101.4 (9) |
Ag2cu—S2—Ag6v | 119.51 (9) | Ag3cuxv—S10—Ag3cu | 164.7 (3) |
Ag3—S2—Ag3cu | 0 | Ag3cuxv—S10—Ag3cuv | 79.44 (17) |
Ag3—S2—Ag6v | 119.23 (11) | Ag3cuxv—S10—Ag3cuiv | 85.5 (2) |
Ag3cu—S2—Ag6v | 119.23 (10) | Ag3cuxv—S10—Ag3cuiii | 81.5 (3) |
Sb2—S3—Ag1 | 104.20 (7) | Ag3cuxv—S10—Ag3cuxiv | 78.91 (14) |
Sb2—S3—Ag3 | 102.02 (8) | Ag3cuxv—S10—S10v | 61.1 (9) |
Sb2—S3—Ag3cu | 102.02 (6) | Ag3cuxv—S10—S10iii | 31.90 (15) |
Sb2—S3—Ag7 | 122.88 (8) | S10v—S10—S10iii | 60.0 (14) |
Sb2—S3—Ag10 | 96.78 (9) | S10iii—S10—S10v | 60.0 (14) |
Ag1—S3—Ag3 | 119.29 (10) |
Symmetry codes: (i) −y+1, x−y+1, z; (ii) −x+y, −x+1, z; (iii) −x+y, −x, z; (iv) y, x, −z; (v) −y, x−y, z; (vi) −x+y+1, −x+1, z; (vii) y, x, −z+1; (viii) −y+1, x−y, z; (ix) x−y, −y+1, −z+1; (x) −x, −x+y, −z+1; (xi) x−y, −y, −z+1; (xii) −x+1, −x+y+1, −z+1; (xiii) x−y+1, −y+1, −z; (xiv) −x, −x+y, −z; (xv) x−y, −y, −z. |
Selected geometric parameters (Å, º) for (polybasite222) top
Sb1—S1 | 2.408 (2) | Ag14—S19viii | 2.562 (2) |
Sb1—S2 | 2.413 (2) | Ag15—S7 | 2.414 (2) |
Sb1—S3 | 2.426 (2) | Ag15—S19viii | 2.3992 (19) |
Sb2—S4 | 2.409 (2) | Ag16—Cu1 | 2.9514 (8) |
Sb2—S5 | 2.432 (2) | Ag16—S1 | 2.594 (2) |
Sb2—S6 | 2.421 (2) | Ag16—S15 | 2.840 (2) |
Sb3—S7 | 2.453 (2) | Ag16—S17 | 2.798 (2) |
Sb3—S8 | 2.412 (2) | Ag16—S22viii | 2.6115 (19) |
Sb3—S12i | 2.411 (2) | Ag17—S3 | 2.614 (2) |
Sb4—S9 | 2.439 (2) | Ag17—S16 | 2.685 (2) |
Sb4—S10 | 2.430 (2) | Ag17—S18 | 2.923 (2) |
Sb4—S11 | 2.416 (2) | Ag17—S22viii | 2.5872 (18) |
Ag1—S1 | 2.520 (2) | Ag18—Cu2ix | 2.8402 (8) |
Ag1—S10ii | 2.556 (2) | Ag18—S8 | 2.849 (2) |
Ag1—S14ii | 2.569 (3) | Ag18—S18 | 2.460 (2) |
Ag2—S2 | 2.461 (2) | Ag18—S21ix | 2.477 (2) |
Ag2—S7iii | 2.584 (2) | Ag19—Cu1 | 2.7899 (12) |
Ag2—S14ii | 2.489 (3) | Ag19—S17 | 2.490 (2) |
Ag2—S17 | 2.953 (2) | Ag19—S19 | 2.4363 (19) |
Ag3—Ag3cu | 0 | Ag20—S2 | 2.600 (2) |
Ag3—Ag23 | 2.9324 (18) | Ag20—S19 | 2.8674 (19) |
Ag3—S4 | 2.429 (3) | Ag20—S20 | 2.723 (2) |
Ag3—S7iii | 2.408 (3) | Ag20—S22viii | 2.5463 (17) |
Ag3—S14iv | 2.381 (3) | Ag21—Ag29viii | 2.9757 (12) |
Ag3cu—Ag23 | 2.9324 (7) | Ag21—Cu3 | 2.7976 (12) |
Ag3cu—S4 | 2.429 (2) | Ag21—S18 | 2.4277 (19) |
Ag3cu—S7iii | 2.408 (2) | Ag21—S20 | 2.483 (2) |
Ag3cu—S14iv | 2.381 (3) | Ag22—S9 | 2.442 (2) |
Ag4—S5 | 2.598 (2) | Ag22—S15x | 2.410 (2) |
Ag4—S10iii | 2.492 (2) | Ag23—Cu2 | 2.7752 (12) |
Ag4—S14iv | 2.513 (3) | Ag23—S19 | 2.4395 (19) |
Ag5—Ag13 | 2.9994 (10) | Ag23—S21 | 2.484 (2) |
Ag5—S1 | 2.450 (2) | Ag24—Cu3 | 2.8444 (19) |
Ag5—S5i | 2.470 (2) | Ag24—S4 | 2.607 (3) |
Ag5—S13 | 2.474 (2) | Ag24—S18x | 2.523 (2) |
Ag5—S16 | 2.959 (2) | Ag24—S20 | 2.654 (3) |
Ag6—Ag7v | 2.9364 (9) | Ag25—Cu3 | 2.7639 (13) |
Ag6—Ag10iv | 2.9879 (9) | Ag25—S11 | 2.659 (2) |
Ag6—S2 | 2.531 (2) | Ag25—S20 | 2.537 (2) |
Ag6—S4 | 2.530 (2) | Ag25—S22 | 2.5240 (18) |
Ag6—S13v | 2.562 (2) | Ag26—Cu1xi | 2.8588 (13) |
Ag7—S3 | 2.548 (2) | Ag26—S10 | 2.745 (2) |
Ag7—S8 | 2.513 (2) | Ag26—S11 | 2.911 (2) |
Ag7—S13 | 2.566 (2) | Ag26—S15x | 2.529 (2) |
Ag8—S3 | 2.466 (2) | Ag26—S17xi | 2.611 (2) |
Ag8—S9 | 2.614 (2) | Ag27—Cu2 | 2.7999 (14) |
Ag8—S13v | 2.496 (2) | Ag27—S10iii | 2.846 (2) |
Ag9—S6 | 2.443 (3) | Ag27—S15vi | 2.465 (2) |
Ag9—S11 | 2.611 (3) | Ag27—S21 | 2.506 (2) |
Ag9—S13v | 2.482 (3) | Ag28—S5 | 2.424 (3) |
Ag10—S6 | 2.577 (2) | Ag28—S18x | 2.420 (2) |
Ag10—S12 | 2.499 (2) | Ag29—Cu3x | 2.7932 (14) |
Ag10—S13vi | 2.535 (2) | Ag29—S6 | 2.587 (2) |
Ag11—S8 | 2.579 (2) | Ag29—S16vi | 2.584 (2) |
Ag11—S9 | 2.516 (2) | Ag29—S22 | 2.568 (2) |
Ag11—S14vii | 2.536 (3) | Ag30—Cu1xi | 2.8319 (8) |
Ag12—S11 | 2.453 (3) | Ag30—S12 | 2.688 (2) |
Ag12—S12 | 2.525 (3) | Ag30—S17xi | 2.544 (2) |
Ag12—S14 | 2.481 (3) | Ag30—S22 | 2.544 (2) |
Ag13—Cu3viii | 2.7829 (12) | Cu1—S17 | 2.1572 (17) |
Ag13—S15 | 2.425 (2) | Cu1—S17xii | 2.1572 (17) |
Ag13—S16 | 2.488 (2) | Cu2—S21 | 2.1549 (16) |
Ag14—Cu3viii | 2.8760 (19) | Cu2—S21xii | 2.1549 (16) |
Ag14—S8 | 2.707 (3) | Cu3—S16x | 2.171 (2) |
Ag14—S12i | 2.964 (3) | Cu3—S20 | 2.164 (2) |
Ag14—S16 | 2.628 (3) | ||
S1—Sb1—S2 | 95.96 (7) | Ag23—Cu2—S21xii | 116.95 (7) |
S1—Sb1—S3 | 97.20 (7) | Ag23xii—Cu2—Ag23 | 97.68 (5) |
S2—Sb1—S3 | 95.66 (7) | Ag23xii—Cu2—Ag27 | 155.40 (3) |
S4—Sb2—S5 | 96.97 (7) | Ag23xii—Cu2—Ag27xii | 99.18 (2) |
S4—Sb2—S6 | 93.57 (7) | Ag23xii—Cu2—S21 | 116.95 (7) |
S5—Sb2—S6 | 97.67 (7) | Ag23xii—Cu2—S21xii | 58.91 (6) |
S7—Sb3—S8 | 97.18 (7) | Ag27—Cu2—Ag27xii | 71.41 (4) |
S7—Sb3—S12i | 96.46 (7) | Ag27—Cu2—S21 | 59.05 (6) |
S8—Sb3—S12i | 92.68 (7) | Ag27—Cu2—S21xii | 126.30 (8) |
S9—Sb4—S10 | 96.68 (7) | Ag27xii—Cu2—Ag27 | 71.41 (4) |
S9—Sb4—S11 | 96.93 (7) | Ag27xii—Cu2—S21 | 126.30 (8) |
S10—Sb4—S11 | 92.21 (7) | Ag27xii—Cu2—S21xii | 59.05 (6) |
S1—Ag1—S10ii | 98.31 (7) | S21—Cu2—S21xii | 174.51 (11) |
S1—Ag1—S14ii | 131.52 (8) | S21xii—Cu2—S21 | 174.51 (11) |
S10ii—Ag1—S14ii | 128.93 (8) | Ag13x—Cu3—Ag14x | 119.38 (5) |
S2—Ag2—S7iii | 106.41 (7) | Ag13x—Cu3—Ag21 | 76.12 (3) |
S2—Ag2—S14ii | 140.17 (9) | Ag13x—Cu3—Ag24 | 133.27 (5) |
S2—Ag2—S17 | 103.71 (7) | Ag13x—Cu3—Ag25 | 67.54 (3) |
S7iii—Ag2—S14ii | 110.41 (8) | Ag13x—Cu3—Ag29viii | 76.70 (4) |
S7iii—Ag2—S17 | 91.94 (6) | Ag13x—Cu3—S16x | 58.75 (6) |
S14ii—Ag2—S17 | 89.86 (7) | Ag13x—Cu3—S20 | 111.31 (7) |
Ag3cu—Ag3—Ag23 | 0 | Ag14x—Cu3—Ag21 | 136.69 (6) |
Ag3cu—Ag3—S4 | 0 | Ag14x—Cu3—Ag24 | 80.07 (6) |
Ag3cu—Ag3—S7iii | 0 | Ag14x—Cu3—Ag25 | 137.88 (6) |
Ag3cu—Ag3—S14iv | 0 | Ag14x—Cu3—Ag29viii | 79.58 (5) |
Ag23—Ag3—S4 | 70.31 (6) | Ag14x—Cu3—S16x | 60.86 (7) |
Ag23—Ag3—S7iii | 77.65 (7) | Ag14x—Cu3—S20 | 129.18 (7) |
Ag23—Ag3—S14iv | 136.97 (10) | Ag21—Cu3—Ag24 | 120.40 (5) |
S4—Ag3—S7iii | 115.27 (10) | Ag21—Cu3—Ag25 | 85.07 (3) |
S4—Ag3—S14iv | 117.87 (11) | Ag21—Cu3—Ag29viii | 64.32 (3) |
S7iii—Ag3—S14iv | 123.89 (11) | Ag21—Cu3—S16x | 114.57 (7) |
Ag3—Ag3cu—Ag23 | 0 | Ag21—Cu3—S20 | 58.40 (6) |
Ag3—Ag3cu—S4 | 0 | Ag24—Cu3—Ag25 | 70.78 (4) |
Ag3—Ag3cu—S7iii | 0 | Ag24—Cu3—Ag29viii | 149.68 (6) |
Ag3—Ag3cu—S14iv | 0 | Ag24—Cu3—S16x | 124.99 (7) |
Ag23—Ag3cu—S4 | 70.31 (5) | Ag24—Cu3—S20 | 62.26 (6) |
Ag23—Ag3cu—S7iii | 77.65 (5) | Ag25—Cu3—Ag29viii | 137.60 (5) |
Ag23—Ag3cu—S14iv | 136.97 (6) | Ag25—Cu3—S16x | 113.47 (7) |
S4—Ag3cu—S7iii | 115.27 (7) | Ag25—Cu3—S20 | 60.52 (6) |
S4—Ag3cu—S14iv | 117.87 (8) | Ag29viii—Cu3—S16x | 61.23 (6) |
S7iii—Ag3cu—S14iv | 123.89 (8) | Ag29viii—Cu3—S20 | 116.80 (7) |
S5—Ag4—S10iii | 100.03 (7) | S16x—Cu3—S20 | 169.92 (9) |
S5—Ag4—S14iv | 114.30 (8) | Sb1—S1—Ag1 | 100.87 (7) |
S10iii—Ag4—S14iv | 145.66 (9) | Sb1—S1—Ag5 | 101.34 (8) |
Ag13—Ag5—S1 | 77.87 (5) | Sb1—S1—Ag16 | 113.89 (8) |
Ag13—Ag5—S5i | 75.41 (5) | Ag1—S1—Ag5 | 112.85 (8) |
Ag13—Ag5—S13 | 138.46 (6) | Ag1—S1—Ag16 | 103.50 (7) |
Ag13—Ag5—S16 | 49.35 (4) | Ag5—S1—Ag16 | 122.59 (8) |
S1—Ag5—S5i | 116.34 (7) | Sb1—S2—Ag2 | 98.35 (7) |
S1—Ag5—S13 | 119.81 (8) | Sb1—S2—Ag6 | 105.09 (8) |
S1—Ag5—S16 | 101.45 (6) | Sb1—S2—Ag20 | 105.69 (7) |
S5i—Ag5—S13 | 118.50 (8) | Ag2—S2—Ag6 | 120.04 (8) |
S5i—Ag5—S16 | 102.65 (6) | Ag2—S2—Ag20 | 125.41 (8) |
S13—Ag5—S16 | 89.21 (6) | Ag6—S2—Ag20 | 99.97 (7) |
Ag7v—Ag6—Ag10iv | 61.48 (2) | Sb1—S3—Ag7 | 102.06 (7) |
Ag7v—Ag6—S2 | 92.04 (5) | Sb1—S3—Ag8 | 97.70 (7) |
Ag7v—Ag6—S4 | 147.92 (5) | Sb1—S3—Ag17 | 107.54 (7) |
Ag7v—Ag6—S13v | 55.14 (5) | Ag7—S3—Ag8 | 112.44 (8) |
Ag10iv—Ag6—S2 | 145.28 (5) | Ag7—S3—Ag17 | 100.25 (7) |
Ag10iv—Ag6—S4 | 95.55 (5) | Ag8—S3—Ag17 | 133.13 (8) |
Ag10iv—Ag6—S13v | 53.69 (5) | Sb2—S4—Ag3 | 104.22 (9) |
S2—Ag6—S4 | 97.55 (7) | Sb2—S4—Ag3cu | 104.22 (8) |
S2—Ag6—S13v | 130.31 (7) | Sb2—S4—Ag6 | 105.45 (8) |
S4—Ag6—S13v | 130.60 (7) | Sb2—S4—Ag24 | 101.63 (8) |
Ag6v—Ag7—S3 | 149.16 (5) | Ag3—S4—Ag3cu | 0 |
Ag6v—Ag7—S8 | 96.45 (5) | Ag3—S4—Ag6 | 115.85 (9) |
Ag6v—Ag7—S13 | 55.00 (5) | Ag3—S4—Ag24 | 131.59 (10) |
S3—Ag7—S8 | 101.66 (7) | Ag3cu—S4—Ag6 | 115.85 (8) |
S3—Ag7—S13 | 113.80 (7) | Ag3cu—S4—Ag24 | 131.59 (9) |
S8—Ag7—S13 | 144.09 (7) | Ag6—S4—Ag24 | 95.24 (8) |
S3—Ag8—S9 | 106.42 (7) | Sb2—S5—Ag4 | 100.50 (7) |
S3—Ag8—S13v | 143.90 (7) | Sb2—S5—Ag5vi | 99.88 (8) |
S9—Ag8—S13v | 108.06 (7) | Sb2—S5—Ag28 | 102.76 (8) |
S6—Ag9—S11 | 110.98 (9) | Ag4—S5—Ag5vi | 109.79 (8) |
S6—Ag9—S13v | 139.03 (10) | Ag4—S5—Ag28 | 122.56 (9) |
S11—Ag9—S13v | 109.92 (9) | Ag5vi—S5—Ag28 | 116.69 (9) |
Ag6iv—Ag10—S6 | 143.97 (5) | Sb2—S6—Ag9 | 103.27 (8) |
Ag6iv—Ag10—S12 | 98.64 (5) | Sb2—S6—Ag10 | 101.68 (7) |
Ag6iv—Ag10—S13vi | 54.54 (5) | Sb2—S6—Ag29 | 123.01 (9) |
S6—Ag10—S12 | 101.38 (7) | Ag9—S6—Ag10 | 111.22 (9) |
S6—Ag10—S13vi | 112.81 (7) | Ag9—S6—Ag29 | 128.78 (10) |
S12—Ag10—S13vi | 145.68 (7) | Ag10—S6—Ag29 | 81.68 (6) |
S8—Ag11—S9 | 99.53 (7) | Sb3—S7—Ag2ix | 99.02 (7) |
S8—Ag11—S14vii | 116.98 (8) | Sb3—S7—Ag3ix | 102.27 (8) |
S9—Ag11—S14vii | 143.48 (8) | Sb3—S7—Ag3cuix | 102.27 (7) |
S11—Ag12—S12 | 112.53 (10) | Sb3—S7—Ag15 | 101.72 (8) |
S11—Ag12—S14 | 136.48 (11) | Ag2ix—S7—Ag3ix | 108.38 (9) |
S12—Ag12—S14 | 110.36 (10) | Ag2ix—S7—Ag3cuix | 108.38 (8) |
Ag5—Ag13—Cu3viii | 112.69 (3) | Ag2ix—S7—Ag15 | 122.76 (8) |
Ag5—Ag13—S15 | 106.60 (5) | Ag3ix—S7—Ag3cuix | 0 |
Ag5—Ag13—S16 | 64.49 (5) | Ag3ix—S7—Ag15 | 118.08 (9) |
Cu3viii—Ag13—S15 | 140.31 (6) | Ag3cuix—S7—Ag15 | 118.08 (8) |
Cu3viii—Ag13—S16 | 48.25 (5) | Sb3—S8—Ag7 | 103.17 (7) |
S15—Ag13—S16 | 168.37 (7) | Sb3—S8—Ag11 | 103.08 (7) |
Cu3viii—Ag14—S8 | 142.24 (8) | Sb3—S8—Ag14 | 96.19 (8) |
Cu3viii—Ag14—S12i | 120.38 (8) | Sb3—S8—Ag18 | 124.90 (8) |
Cu3viii—Ag14—S16 | 46.20 (5) | Ag7—S8—Ag11 | 119.10 (8) |
Cu3viii—Ag14—S19viii | 84.10 (7) | Ag7—S8—Ag14 | 85.39 (7) |
S8—Ag14—S12i | 75.79 (7) | Ag7—S8—Ag18 | 127.48 (8) |
S8—Ag14—S16 | 103.20 (8) | Ag11—S8—Ag14 | 143.47 (9) |
S8—Ag14—S19viii | 125.78 (9) | Ag11—S8—Ag18 | 72.63 (5) |
S12i—Ag14—S16 | 93.98 (8) | Ag14—S8—Ag18 | 70.89 (6) |
S12i—Ag14—S19viii | 107.84 (9) | Sb4—S9—Ag8 | 98.93 (7) |
S16—Ag14—S19viii | 129.56 (9) | Sb4—S9—Ag11 | 100.57 (7) |
S7—Ag15—S19viii | 159.95 (7) | Sb4—S9—Ag22 | 99.67 (7) |
Cu1—Ag16—S1 | 127.89 (5) | Ag8—S9—Ag11 | 114.37 (8) |
Cu1—Ag16—S15 | 83.50 (5) | Ag8—S9—Ag22 | 120.46 (8) |
Cu1—Ag16—S17 | 43.97 (4) | Ag11—S9—Ag22 | 116.79 (8) |
Cu1—Ag16—S22viii | 105.81 (5) | Sb4—S10—Ag1xi | 103.68 (7) |
S1—Ag16—S15 | 90.26 (6) | Sb4—S10—Ag4ix | 100.82 (7) |
S1—Ag16—S17 | 86.50 (6) | Sb4—S10—Ag26 | 95.80 (7) |
S1—Ag16—S22viii | 124.52 (6) | Sb4—S10—Ag27ix | 121.98 (8) |
S15—Ag16—S17 | 97.98 (6) | Ag1xi—S10—Ag4ix | 120.65 (8) |
S15—Ag16—S22viii | 110.59 (6) | Ag1xi—S10—Ag26 | 88.70 (6) |
S17—Ag16—S22viii | 136.12 (6) | Ag1xi—S10—Ag27ix | 130.06 (8) |
S3—Ag17—S16 | 90.06 (6) | Ag4ix—S10—Ag26 | 140.88 (8) |
S3—Ag17—S18 | 85.98 (6) | Ag4ix—S10—Ag27ix | 72.15 (5) |
S3—Ag17—S22viii | 123.08 (6) | Ag26—S10—Ag27ix | 68.99 (5) |
S16—Ag17—S18 | 95.94 (6) | Sb4—S11—Ag9 | 96.55 (8) |
S16—Ag17—S22viii | 143.07 (6) | Sb4—S11—Ag12 | 99.55 (9) |
S18—Ag17—S22viii | 101.70 (6) | Sb4—S11—Ag25 | 131.42 (8) |
Cu2ix—Ag18—S8 | 143.49 (5) | Sb4—S11—Ag26 | 91.95 (7) |
Cu2ix—Ag18—S18 | 120.22 (5) | Ag9—S11—Ag12 | 96.38 (9) |
Cu2ix—Ag18—S21ix | 47.21 (4) | Ag9—S11—Ag25 | 70.62 (6) |
S8—Ag18—S18 | 95.70 (6) | Ag9—S11—Ag26 | 165.75 (9) |
S8—Ag18—S21ix | 100.60 (6) | Ag12—S11—Ag25 | 127.75 (9) |
S18—Ag18—S21ix | 158.10 (7) | Ag12—S11—Ag26 | 93.46 (8) |
Cu1—Ag19—S17 | 47.81 (4) | Ag25—S11—Ag26 | 95.19 (7) |
Cu1—Ag19—S19 | 135.15 (5) | Sb3vi—S12—Ag10 | 102.29 (8) |
S17—Ag19—S19 | 176.77 (7) | Sb3vi—S12—Ag12 | 100.87 (9) |
S2—Ag20—S19 | 92.07 (6) | Sb3vi—S12—Ag14vi | 89.83 (7) |
S2—Ag20—S20 | 89.67 (6) | Sb3vi—S12—Ag30 | 122.43 (9) |
S2—Ag20—S22viii | 131.64 (6) | Ag10—S12—Ag12 | 108.35 (9) |
S19—Ag20—S20 | 93.89 (6) | Ag10—S12—Ag14vi | 87.30 (7) |
S19—Ag20—S22viii | 100.87 (6) | Ag10—S12—Ag30 | 134.70 (9) |
S20—Ag20—S22viii | 134.77 (6) | Ag12—S12—Ag14vi | 158.37 (10) |
Ag29viii—Ag21—Cu3 | 57.77 (3) | Ag12—S12—Ag30 | 72.28 (7) |
Ag29viii—Ag21—S18 | 78.15 (5) | Ag14vi—S12—Ag30 | 86.11 (7) |
Ag29viii—Ag21—S20 | 101.38 (5) | Ag5—S13—Ag6v | 159.60 (10) |
Cu3—Ag21—S18 | 133.94 (5) | Ag5—S13—Ag7 | 93.13 (7) |
Cu3—Ag21—S20 | 47.94 (5) | Ag5—S13—Ag8v | 111.32 (9) |
S18—Ag21—S20 | 173.26 (7) | Ag5—S13—Ag9v | 112.43 (9) |
S9—Ag22—S15x | 158.74 (7) | Ag5—S13—Ag10i | 92.91 (7) |
Ag3—Ag23—Ag3cu | 0 | Ag6v—S13—Ag7 | 69.86 (6) |
Ag3—Ag23—Cu2 | 114.65 (4) | Ag6v—S13—Ag8v | 79.10 (7) |
Ag3—Ag23—S19 | 112.70 (6) | Ag6v—S13—Ag9v | 81.70 (7) |
Ag3—Ag23—S21 | 67.00 (5) | Ag6v—S13—Ag10i | 71.77 (6) |
Ag3cu—Ag23—Cu2 | 114.65 (2) | Ag7—S13—Ag8v | 84.45 (7) |
Ag3cu—Ag23—S19 | 112.70 (5) | Ag7—S13—Ag9v | 150.08 (10) |
Ag3cu—Ag23—S21 | 67.00 (4) | Ag7—S13—Ag10i | 72.83 (6) |
Cu2—Ag23—S19 | 128.75 (5) | Ag8v—S13—Ag9v | 99.52 (8) |
Cu2—Ag23—S21 | 47.98 (4) | Ag8v—S13—Ag10i | 147.72 (9) |
S19—Ag23—S21 | 166.73 (7) | Ag9v—S13—Ag10i | 89.92 (8) |
Cu3—Ag24—S4 | 135.10 (8) | Ag1xi—S14—Ag2xi | 77.92 (8) |
Cu3—Ag24—S18x | 90.18 (6) | Ag1xi—S14—Ag3iv | 162.68 (13) |
Cu3—Ag24—S20 | 46.20 (5) | Ag1xi—S14—Ag3cuiv | 162.68 (12) |
S4—Ag24—S18x | 130.43 (9) | Ag1xi—S14—Ag4iv | 72.70 (8) |
S4—Ag24—S20 | 94.44 (8) | Ag1xi—S14—Ag11vii | 74.40 (8) |
S18x—Ag24—S20 | 134.85 (9) | Ag1xi—S14—Ag12 | 85.27 (9) |
Cu3—Ag25—S11 | 145.89 (6) | Ag2xi—S14—Ag3iv | 111.54 (12) |
Cu3—Ag25—S20 | 47.96 (5) | Ag2xi—S14—Ag3cuiv | 111.54 (11) |
Cu3—Ag25—S22 | 117.48 (5) | Ag2xi—S14—Ag4iv | 147.94 (13) |
S11—Ag25—S20 | 105.18 (6) | Ag2xi—S14—Ag11vii | 86.38 (10) |
S11—Ag25—S22 | 95.58 (6) | Ag2xi—S14—Ag12 | 99.43 (10) |
S20—Ag25—S22 | 151.74 (7) | Ag3iv—S14—Ag3cuiv | 0 |
Cu1xi—Ag26—S10 | 138.40 (5) | Ag3iv—S14—Ag4iv | 94.15 (10) |
Cu1xi—Ag26—S11 | 119.84 (5) | Ag3iv—S14—Ag11vii | 91.33 (10) |
Cu1xi—Ag26—S15x | 91.23 (5) | Ag3iv—S14—Ag12 | 106.59 (13) |
Cu1xi—Ag26—S17xi | 46.18 (4) | Ag3cuiv—S14—Ag4iv | 94.15 (9) |
S10—Ag26—S11 | 76.19 (6) | Ag3cuiv—S14—Ag11vii | 91.33 (9) |
S10—Ag26—S15x | 124.28 (6) | Ag3cuiv—S14—Ag12 | 106.59 (12) |
S10—Ag26—S17xi | 98.45 (6) | Ag4iv—S14—Ag11vii | 73.73 (8) |
S11—Ag26—S15x | 103.07 (7) | Ag4iv—S14—Ag12 | 90.77 (10) |
S11—Ag26—S17xi | 94.07 (6) | Ag11vii—S14—Ag12 | 157.27 (13) |
S15x—Ag26—S17xi | 136.48 (6) | Ag13—S15—Ag16 | 77.22 (6) |
Cu2—Ag27—S10iii | 147.16 (5) | Ag13—S15—Ag22viii | 82.09 (6) |
Cu2—Ag27—S15vi | 114.84 (5) | Ag13—S15—Ag26viii | 129.83 (8) |
Cu2—Ag27—S21 | 47.53 (4) | Ag13—S15—Ag27i | 110.50 (8) |
S10iii—Ag27—S15vi | 97.20 (6) | Ag16—S15—Ag22viii | 133.49 (8) |
S10iii—Ag27—S21 | 105.12 (6) | Ag16—S15—Ag26viii | 84.15 (6) |
S15vi—Ag27—S21 | 152.02 (7) | Ag16—S15—Ag27i | 132.11 (8) |
S5—Ag28—S18x | 157.70 (10) | Ag22viii—S15—Ag26viii | 77.97 (6) |
Ag21x—Ag29—Cu3x | 57.91 (3) | Ag22viii—S15—Ag27i | 94.10 (7) |
Ag21x—Ag29—S6 | 140.99 (7) | Ag26viii—S15—Ag27i | 116.42 (8) |
Ag21x—Ag29—S16vi | 97.69 (5) | Ag5—S16—Ag13 | 66.16 (5) |
Ag21x—Ag29—S22 | 91.01 (5) | Ag5—S16—Ag14 | 147.96 (8) |
Cu3x—Ag29—S6 | 150.23 (6) | Ag5—S16—Ag17 | 93.33 (6) |
Cu3x—Ag29—S16vi | 47.43 (5) | Ag5—S16—Ag29i | 102.48 (7) |
Cu3x—Ag29—S22 | 103.52 (6) | Ag5—S16—Cu3viii | 139.07 (9) |
S6—Ag29—S16vi | 102.84 (7) | Ag13—S16—Ag14 | 145.51 (9) |
S6—Ag29—S22 | 99.20 (7) | Ag13—S16—Ag17 | 71.52 (5) |
S16vi—Ag29—S22 | 131.78 (8) | Ag13—S16—Ag29i | 85.99 (7) |
Cu1xi—Ag30—S12 | 152.18 (5) | Ag13—S16—Cu3viii | 73.00 (6) |
Cu1xi—Ag30—S17xi | 46.94 (4) | Ag14—S16—Ag17 | 94.98 (8) |
Cu1xi—Ag30—S22 | 111.32 (5) | Ag14—S16—Ag29i | 88.25 (8) |
S12—Ag30—S17xi | 108.26 (6) | Ag14—S16—Cu3viii | 72.94 (7) |
S12—Ag30—S22 | 96.47 (6) | Ag17—S16—Ag29i | 144.47 (8) |
S17xi—Ag30—S22 | 144.12 (7) | Ag17—S16—Cu3viii | 75.86 (6) |
Ag16—Cu1—Ag16xii | 153.31 (5) | Ag29i—S16—Cu3viii | 71.34 (6) |
Ag16—Cu1—Ag19 | 63.39 (2) | Ag2—S17—Ag16 | 96.13 (6) |
Ag16—Cu1—Ag19xii | 142.34 (4) | Ag2—S17—Ag19 | 69.68 (5) |
Ag16—Cu1—Ag26ii | 82.78 (3) | Ag2—S17—Ag26ii | 143.41 (7) |
Ag16—Cu1—Ag26viii | 76.68 (3) | Ag2—S17—Ag30ii | 109.16 (7) |
Ag16—Cu1—Ag30ii | 123.58 (2) | Ag2—S17—Cu1 | 143.04 (9) |
Ag16—Cu1—Ag30viii | 66.68 (2) | Ag16—S17—Ag19 | 69.36 (5) |
Ag16—Cu1—S17 | 64.24 (6) | Ag16—S17—Ag26ii | 90.45 (6) |
Ag16—Cu1—S17xii | 117.64 (6) | Ag16—S17—Ag30ii | 145.10 (7) |
Ag16xii—Cu1—Ag16 | 153.31 (5) | Ag16—S17—Cu1 | 71.79 (6) |
Ag16xii—Cu1—Ag19 | 142.34 (4) | Ag19—S17—Ag26ii | 144.81 (8) |
Ag16xii—Cu1—Ag19xii | 63.39 (2) | Ag19—S17—Ag30ii | 96.80 (7) |
Ag16xii—Cu1—Ag26ii | 76.68 (3) | Ag19—S17—Cu1 | 73.39 (6) |
Ag16xii—Cu1—Ag26viii | 82.78 (3) | Ag26ii—S17—Ag30ii | 83.41 (7) |
Ag16xii—Cu1—Ag30ii | 66.68 (2) | Ag26ii—S17—Cu1 | 72.98 (6) |
Ag16xii—Cu1—Ag30viii | 123.58 (2) | Ag30ii—S17—Cu1 | 73.57 (6) |
Ag16xii—Cu1—S17 | 117.64 (6) | Ag17—S18—Ag18 | 135.46 (7) |
Ag16xii—Cu1—S17xii | 64.24 (6) | Ag17—S18—Ag21 | 77.59 (5) |
Ag19—Cu1—Ag19xii | 83.76 (4) | Ag17—S18—Ag24viii | 87.05 (7) |
Ag19—Cu1—Ag26ii | 118.81 (2) | Ag17—S18—Ag28viii | 137.63 (8) |
Ag19—Cu1—Ag26viii | 131.81 (2) | Ag18—S18—Ag21 | 108.54 (7) |
Ag19—Cu1—Ag30ii | 84.07 (3) | Ag18—S18—Ag24viii | 112.54 (8) |
Ag19—Cu1—Ag30viii | 66.20 (3) | Ag18—S18—Ag28viii | 86.81 (7) |
Ag19—Cu1—S17 | 58.79 (6) | Ag21—S18—Ag24viii | 134.06 (9) |
Ag19—Cu1—S17xii | 115.06 (7) | Ag21—S18—Ag28viii | 86.95 (7) |
Ag19xii—Cu1—Ag19 | 83.76 (4) | Ag24viii—S18—Ag28viii | 75.85 (7) |
Ag19xii—Cu1—Ag26ii | 131.81 (2) | Ag14x—S19—Ag15x | 75.98 (6) |
Ag19xii—Cu1—Ag26viii | 118.81 (2) | Ag14x—S19—Ag19 | 131.41 (9) |
Ag19xii—Cu1—Ag30ii | 66.20 (3) | Ag14x—S19—Ag20 | 92.41 (7) |
Ag19xii—Cu1—Ag30viii | 84.07 (3) | Ag14x—S19—Ag23 | 114.34 (8) |
Ag19xii—Cu1—S17 | 115.06 (7) | Ag15x—S19—Ag19 | 81.76 (6) |
Ag19xii—Cu1—S17xii | 58.79 (6) | Ag15x—S19—Ag20 | 133.86 (7) |
Ag26ii—Cu1—Ag26viii | 79.06 (4) | Ag15x—S19—Ag23 | 86.31 (6) |
Ag26ii—Cu1—Ag30ii | 74.13 (3) | Ag19—S19—Ag20 | 73.06 (5) |
Ag26ii—Cu1—Ag30viii | 143.00 (4) | Ag19—S19—Ag23 | 106.55 (7) |
Ag26ii—Cu1—S17 | 60.84 (6) | Ag20—S19—Ag23 | 137.45 (8) |
Ag26ii—Cu1—S17xii | 125.82 (7) | Ag20—S20—Ag21 | 71.62 (5) |
Ag26viii—Cu1—Ag26ii | 79.06 (4) | Ag20—S20—Ag24 | 93.72 (7) |
Ag26viii—Cu1—Ag30ii | 143.00 (4) | Ag20—S20—Ag25 | 146.44 (8) |
Ag26viii—Cu1—Ag30viii | 74.13 (3) | Ag20—S20—Cu3 | 74.97 (6) |
Ag26viii—Cu1—S17 | 125.82 (7) | Ag21—S20—Ag24 | 144.71 (8) |
Ag26viii—Cu1—S17xii | 60.84 (6) | Ag21—S20—Ag25 | 96.99 (7) |
Ag30ii—Cu1—Ag30viii | 140.19 (6) | Ag21—S20—Cu3 | 73.66 (6) |
Ag30ii—Cu1—S17 | 59.49 (6) | Ag24—S20—Ag25 | 77.45 (6) |
Ag30ii—Cu1—S17xii | 117.67 (6) | Ag24—S20—Cu3 | 71.54 (7) |
Ag30viii—Cu1—Ag30ii | 140.19 (6) | Ag25—S20—Cu3 | 71.52 (6) |
Ag30viii—Cu1—S17 | 117.67 (6) | Ag18iii—S21—Ag23 | 109.70 (7) |
Ag30viii—Cu1—S17xii | 59.49 (6) | Ag18iii—S21—Ag27 | 111.50 (8) |
S17—Cu1—S17xii | 172.71 (10) | Ag18iii—S21—Cu2 | 75.28 (6) |
S17xii—Cu1—S17 | 172.71 (10) | Ag23—S21—Ag27 | 116.61 (8) |
Ag18iii—Cu2—Ag18x | 150.33 (6) | Ag23—S21—Cu2 | 73.10 (6) |
Ag18iii—Cu2—Ag23 | 92.49 (4) | Ag27—S21—Cu2 | 73.42 (7) |
Ag18iii—Cu2—Ag23xii | 67.64 (3) | Ag16x—S22—Ag17x | 77.22 (5) |
Ag18iii—Cu2—Ag27 | 93.80 (3) | Ag16x—S22—Ag20x | 80.40 (5) |
Ag18iii—Cu2—Ag27xii | 110.45 (3) | Ag16x—S22—Ag25 | 94.39 (6) |
Ag18iii—Cu2—S21 | 57.51 (6) | Ag16x—S22—Ag29 | 162.72 (7) |
Ag18iii—Cu2—S21xii | 120.84 (6) | Ag16x—S22—Ag30 | 76.15 (6) |
Ag18x—Cu2—Ag18iii | 150.33 (6) | Ag17x—S22—Ag20x | 79.52 (5) |
Ag18x—Cu2—Ag23 | 67.64 (3) | Ag17x—S22—Ag25 | 71.94 (5) |
Ag18x—Cu2—Ag23xii | 92.49 (4) | Ag17x—S22—Ag29 | 94.91 (7) |
Ag18x—Cu2—Ag27 | 110.45 (3) | Ag17x—S22—Ag30 | 153.07 (8) |
Ag18x—Cu2—Ag27xii | 93.80 (3) | Ag20x—S22—Ag25 | 151.43 (8) |
Ag18x—Cu2—S21 | 120.84 (6) | Ag20x—S22—Ag29 | 83.06 (6) |
Ag18x—Cu2—S21xii | 57.51 (6) | Ag20x—S22—Ag30 | 99.88 (7) |
Ag23—Cu2—Ag23xii | 97.68 (5) | Ag25—S22—Ag29 | 97.76 (7) |
Ag23—Cu2—Ag27 | 99.18 (2) | Ag25—S22—Ag30 | 106.14 (7) |
Ag23—Cu2—Ag27xii | 155.40 (3) | Ag29—S22—Ag30 | 111.82 (7) |
Ag23—Cu2—S21 | 58.91 (6) |
Symmetry codes: (i) x, y−1, z; (ii) x−1/2, y−1/2, z; (iii) x−1/2, y+1/2, z; (iv) −x+1/2, −y+3/2, −z; (v) −x+1/2, −y+1/2, −z; (vi) x, y+1, z; (vii) −x+1, −y+1, −z; (viii) −x+1/2, y−1/2, −z+1/2; (ix) x+1/2, y−1/2, z; (x) −x+1/2, y+1/2, −z+1/2; (xi) x+1/2, y+1/2, z; (xii) −x, y, −z+1/2. |