Structure 1567378

1567342 << 1567378 >> 1567381
Original COD entry Download CIF Download DOT

Citation: Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng (2022). Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites. IUCrData, 7, pp. -.

Formula: Cu61.39 S32

Chemical name: Henhexacontacopper dotriacontasulfur

Cell parameters:

  • a = 26.8500(10) Å
  • b = 15.6862(6) Å
  • c = 13.5175(6) Å
  • α = 90°
  • β = 90.062(2)°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: Cu280 S128 (Cu35 S16)

Multiplicity: 1

Coordination sequences:

  • 5, 28, 69, 145, 244, 367, 508, 702, 904, 1140
  • 6, 27, 65, 150, 241, 344, 499, 684, 898, 1135
  • 6, 28, 66, 149, 233, 344, 519, 703, 896, 1119
  • 6, 29, 68, 146, 239, 365, 491, 678, 910, 1158
  • 6, 29, 69, 146, 249, 377, 524, 701, 907, 1151
  • 6, 30, 72, 151, 241, 372, 530, 711, 917, 1158
  • 6, 31, 67, 149, 234, 368, 531, 692, 927, 1136
  • 6, 31, 67, 149, 247, 358, 521, 682, 886, 1141
  • 6, 31, 68, 151, 245, 372, 505, 692, 908, 1146
  • 6, 31, 70, 146, 245, 368, 522, 683, 899, 1139
  • 6, 31, 72, 148, 251, 372, 524, 710, 936, 1160
  • 6, 31, 77, 149, 241, 376, 533, 731, 904, 1157
  • 6, 31, 78, 150, 245, 374, 528, 713, 940, 1161
  • 6, 32, 74, 144, 240, 369, 530, 727, 899, 1147
  • 6, 33, 75, 141, 242, 362, 512, 710, 918, 1138
  • 6, 33, 75, 146, 252, 362, 517, 706, 908, 1144
  • 6, 34, 71, 148, 252, 377, 536, 714, 882, 1149
  • 6, 34, 74, 134, 242, 369, 521, 709, 891, 1117
  • 7, 30, 71, 154, 243, 379, 531, 695, 877, 1134
  • 7, 31, 76, 150, 243, 369, 524, 712, 907, 1151
  • 7, 32, 69, 145, 245, 378, 507, 689, 880, 1148
  • 7, 32, 76, 145, 238, 381, 538, 700, 920, 1165
  • 7, 33, 79, 143, 226, 379, 561, 714, 909, 1138
  • 7, 35, 65, 137, 245, 367, 514, 691, 891, 1161
  • 7, 35, 67, 144, 241, 355, 523, 700, 897, 1130
  • 8, 30, 83, 153, 260, 384, 517, 713, 937, 1202
  • 8, 31, 66, 136, 228, 357, 515, 699, 883, 1102
  • 8, 31, 72, 154, 244, 364, 534, 708, 920, 1155
  • 8, 32, 80, 160, 257, 371, 522, 712, 936, 1173
  • 8, 33, 77, 152, 259, 381, 537, 709, 937, 1183
  • 8, 33, 88, 168, 261, 392, 551, 745, 965, 1209
  • 8, 34, 69, 146, 242, 371, 539, 706, 883, 1151
  • 8, 36, 78, 159, 271, 390, 537, 734, 953, 1188
  • 8, 37, 76, 154, 272, 392, 536, 723, 933, 1173
  • 8, 37, 86, 159, 267, 388, 533, 733, 944, 1190
  • 8, 39, 87, 163, 263, 405, 580, 766, 956, 1198
  • 9, 31, 84, 156, 268, 383, 517, 712, 950, 1203
  • 9, 32, 85, 162, 259, 383, 529, 711, 956, 1192
  • 9, 33, 85, 158, 267, 397, 556, 738, 963, 1206
  • 9, 34, 85, 167, 259, 385, 567, 744, 947, 1189
  • 9, 35, 85, 169, 249, 390, 532, 727, 964, 1168
  • 9, 35, 91, 169, 279, 400, 560, 768, 963, 1215
  • 9, 36, 92, 162, 270, 406, 567, 750, 962, 1208
  • 9, 37, 75, 155, 260, 385, 548, 718, 935, 1186
  • 9, 37, 85, 166, 267, 406, 550, 748, 944, 1173
  • 9, 38, 77, 155, 263, 406, 551, 732, 955, 1217
  • 9, 38, 82, 152, 249, 409, 570, 750, 930, 1197
  • 9, 38, 90, 168, 273, 398, 549, 763, 971, 1200
  • 9, 40, 82, 176, 274, 412, 585, 743, 994, 1233
  • 9, 40, 86, 152, 264, 394, 560, 769, 938, 1179
  • 9, 40, 89, 167, 258, 397, 571, 737, 945, 1170
  • 9, 41, 86, 174, 270, 410, 571, 779, 971, 1212
  • 10, 33, 94, 181, 262, 403, 562, 743, 978, 1205
  • 10, 34, 86, 166, 248, 377, 526, 728, 917, 1175
  • 10, 35, 75, 150, 258, 384, 544, 703, 930, 1160
  • 10, 35, 77, 150, 243, 390, 554, 707, 929, 1146
  • 10, 35, 83, 162, 279, 401, 572, 722, 943, 1208
  • 10, 35, 88, 163, 272, 421, 564, 725, 957, 1216
  • 10, 35, 90, 168, 274, 392, 538, 734, 988, 1225
  • 10, 35, 90, 171, 280, 397, 554, 754, 986, 1217
  • 10, 35, 95, 179, 276, 396, 595, 769, 977, 1222
  • 10, 35, 97, 166, 276, 403, 570, 761, 980, 1206
  • 10, 36, 89, 164, 273, 408, 561, 741, 976, 1217
  • 10, 37, 76, 164, 267, 390, 545, 716, 953, 1210
  • 10, 37, 89, 173, 278, 406, 571, 748, 950, 1228
  • 10, 37, 92, 156, 262, 400, 542, 736, 965, 1199
  • 10, 37, 97, 170, 268, 416, 567, 753, 974, 1216
  • 10, 38, 88, 174, 280, 409, 572, 755, 960, 1216
  • 10, 38, 90, 149, 262, 411, 574, 740, 978, 1148
  • 10, 39, 86, 165, 269, 399, 544, 739, 963, 1186
  • 10, 39, 87, 158, 269, 414, 564, 746, 976, 1161
  • 10, 39, 90, 159, 277, 402, 568, 771, 961, 1206
  • 10, 39, 93, 168, 278, 411, 577, 741, 989, 1203
  • 10, 40, 89, 168, 271, 398, 574, 738, 939, 1202
  • 10, 42, 82, 170, 269, 398, 569, 731, 935, 1200
  • 11, 34, 82, 173, 273, 400, 553, 738, 979, 1197
  • 11, 36, 86, 175, 255, 399, 543, 727, 961, 1185
  • 11, 36, 87, 158, 262, 402, 562, 760, 967, 1181
  • 11, 37, 88, 166, 265, 396, 565, 763, 955, 1195
  • 11, 37, 93, 166, 285, 414, 565, 756, 976, 1208
  • 11, 37, 98, 171, 270, 413, 590, 777, 976, 1207
  • 11, 39, 92, 167, 285, 418, 574, 752, 974, 1221
  • 11, 39, 98, 168, 273, 405, 578, 751, 994, 1223
  • 11, 40, 88, 163, 290, 413, 568, 743, 982, 1218
  • 11, 40, 89, 167, 272, 411, 552, 747, 930, 1198
  • 11, 41, 102, 175, 285, 429, 589, 765, 998, 1225
  • 11, 45, 84, 173, 279, 431, 582, 760, 986, 1242
  • 12, 34, 89, 165, 274, 410, 554, 728, 939, 1213
  • 12, 36, 86, 166, 281, 390, 540, 720, 949, 1222
  • 12, 37, 93, 171, 281, 401, 568, 761, 972, 1246
  • 12, 38, 92, 162, 275, 401, 569, 750, 980, 1202
  • 12, 39, 88, 161, 273, 417, 559, 744, 943, 1200
  • 12, 40, 93, 182, 293, 411, 557, 776, 989, 1237
  • 12, 41, 92, 165, 284, 413, 578, 752, 960, 1207
  • 12, 41, 98, 180, 273, 399, 562, 759, 1003, 1218
  • 12, 43, 88, 164, 286, 412, 582, 765, 958, 1235
  • 13, 39, 93, 160, 272, 420, 579, 764, 973, 1217
  • 13, 41, 93, 175, 268, 409, 583, 766, 959, 1232
  • 13, 41, 103, 183, 287, 414, 590, 770, 982, 1239
  • 14, 34, 84, 161, 271, 402, 555, 735, 967, 1215
  • 14, 38, 92, 178, 278, 410, 588, 754, 964, 1222
  • 14, 43, 97, 168, 290, 435, 598, 784, 997, 1229
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