Structure 1532824

1532823 << 1532824 >> 1532825
Original COD entry Download CIF Download DOT

Citation: Wurst, K.; Wallwork, K.S.; Schweda, E.; Bevan, D.J.M.; Mohyla, J.; Hofmann, M. (2003). Single-crystal structure determination of Zr50 Sc12 O118. Solid State Sciences, 5, pp. 1491-1497.

Formula: O118 Sc12.14 Zr49.86

Chemical name: Zr49.86 Sc12.14 O118

Cell parameters:

  • a = 19.7441 Å
  • b = 19.7441 Å
  • c = 17.9196 Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: O354 Sc186 Zr186 (O59 Sc31 Zr31)

Coordination sequences:

  • 6, 22, 72, 129, 225, 333, 478, 654, 843, 1083
  • 6, 23, 71, 132, 221, 344, 478, 659, 862, 1103
  • 6, 23, 72, 128, 214, 338, 485, 642, 848, 1083
  • 6, 24, 71, 129, 217, 336, 472, 661, 862, 1076
  • 7, 23, 48, 112, 224, 341, 449, 589, 843, 1066
  • 7, 25, 63, 132, 231, 343, 497, 680, 896, 1123
  • 7, 25, 67, 131, 219, 333, 496, 679, 860, 1095
  • 8, 22, 66, 135, 233, 340, 446, 636, 867, 1104
  • 8, 23, 53, 109, 210, 346, 495, 650, 872, 1109
  • 8, 24, 57, 119, 216, 341, 488, 666, 852, 1113
  • 8, 24, 58, 130, 213, 329, 483, 660, 861, 1091
  • 8, 24, 59, 135, 221, 325, 472, 655, 853, 1061
  • 8, 24, 59, 135, 224, 343, 488, 673, 886, 1101
  • 8, 24, 60, 137, 219, 335, 478, 661, 865, 1071
  • 8, 24, 60, 139, 214, 333, 487, 658, 846, 1091
  • 8, 24, 60, 145, 226, 325, 470, 659, 858, 1072
  • 8, 24, 61, 144, 235, 354, 505, 676, 891, 1123
  • 8, 24, 62, 145, 241, 368, 510, 692, 905, 1146
  • 8, 24, 69, 134, 224, 346, 502, 676, 868, 1130
  • 8, 25, 58, 133, 214, 329, 475, 647, 873, 1086
  • 8, 25, 81, 148, 227, 335, 479, 655, 864, 1078
  • 8, 26, 70, 137, 234, 343, 484, 640, 855, 1112
  • 8, 26, 77, 147, 239, 346, 511, 704, 881, 1098
  • 8, 26, 80, 148, 236, 356, 514, 699, 887, 1135
  • 8, 26, 80, 152, 242, 350, 500, 697, 896, 1122
  • 8, 27, 71, 133, 221, 335, 496, 684, 866, 1082
  • 8, 27, 74, 142, 230, 342, 510, 686, 879, 1113
  • 8, 27, 83, 147, 236, 362, 520, 691, 899, 1135
  • 8, 28, 79, 141, 239, 362, 506, 688, 911, 1131
  • 8, 28, 80, 140, 229, 356, 501, 673, 877, 1128
  • 8, 29, 84, 151, 246, 377, 529, 698, 915, 1172
  • 8, 29, 85, 147, 239, 371, 524, 689, 893, 1150
  • 9, 24, 56, 119, 216, 341, 488, 666, 852, 1113
  • 9, 24, 63, 135, 233, 340, 446, 636, 867, 1104
  • 9, 29, 67, 135, 223, 345, 491, 675, 884, 1098
  • 10, 29, 66, 136, 229, 359, 496, 665, 897, 1128
  • 10, 36, 82, 159, 248, 358, 517, 701, 907, 1136
  • 10, 36, 85, 157, 248, 379, 534, 713, 924, 1159
  • 11, 40, 93, 169, 261, 383, 553, 738, 944, 1164
  • 12, 43, 92, 166, 255, 380, 552, 739, 922, 1195
  • 12, 43, 92, 169, 276, 402, 553, 738, 969, 1208
  • 12, 44, 91, 166, 264, 397, 555, 726, 942, 1208
  • 13, 48, 98, 170, 282, 418, 555, 748, 985, 1213
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