Structure 9012283

9012282 << 9012283 >> 9012287
Original COD entry Download CIF Download DOT

Citation: Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L. (2003). Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 295 K, 4M weberite-type structure. Journal of Solid State Chemistry, 174, pp. 285-295.

Formula: Ca7.676 Nd0.324 O28 Ta7.705 Zr0.295

Cell parameters:

  • a = 12.761 Å
  • b = 7.358 Å
  • c = 24.565 Å
  • α = 90°
  • β = 100.17°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: Ca16 Nd16 O112 Ta32 Zr20 (Ca4 Nd4 O28 Ta8 Zr5)

Multiplicity: 1

Coordination sequences:

  • 1, 11, 23, 57, 127, 228, 357, 511, 740, 953
  • 1, 12, 35, 65, 103, 200, 327, 452, 615, 885
  • 1, 12, 39, 86, 177, 294, 448, 640, 843, 1078
  • 1, 12, 46, 103, 192, 318, 469, 661, 864, 1125
  • 2, 15, 30, 74, 149, 265, 385, 569, 787, 1039
  • 2, 16, 41, 88, 138, 235, 352, 522, 701, 928
  • 2, 17, 49, 113, 199, 332, 483, 682, 888, 1167
  • 3, 11, 23, 70, 127, 232, 344, 541, 723, 983
  • 3, 13, 40, 99, 184, 311, 463, 648, 872, 1132
  • 3, 13, 41, 101, 188, 306, 459, 643, 871, 1126
  • 3, 15, 31, 76, 148, 255, 388, 581, 786, 1045
  • 3, 19, 33, 78, 152, 265, 392, 580, 799, 1056
  • 3, 19, 45, 105, 206, 327, 492, 683, 909, 1178
  • 3, 20, 49, 106, 198, 314, 489, 672, 893, 1129
  • 4, 12, 29, 65, 128, 220, 329, 488, 695, 946
  • 4, 12, 30, 73, 130, 231, 363, 537, 716, 978
  • 4, 13, 35, 73, 140, 221, 344, 539, 700, 966
  • 4, 13, 37, 77, 138, 248, 391, 585, 770, 1055
  • 4, 18, 27, 80, 152, 251, 368, 557, 785, 1027
  • 4, 20, 41, 106, 201, 316, 469, 661, 888, 1152
  • 4, 20, 43, 106, 204, 322, 477, 678, 895, 1175
  • 4, 22, 48, 94, 166, 275, 416, 618, 800, 1091
  • 4, 22, 49, 113, 215, 346, 521, 714, 924, 1176
  • 4, 22, 57, 127, 235, 371, 541, 743, 962, 1228
  • 4, 24, 53, 85, 152, 283, 424, 576, 785, 1103
  • 4, 30, 63, 145, 247, 389, 572, 761, 997, 1263
  • 5, 18, 31, 84, 157, 271, 394, 587, 807, 1077
  • 5, 18, 44, 75, 136, 238, 393, 517, 725, 1014
  • 5, 22, 66, 148, 251, 393, 555, 775, 992, 1294
  • 5, 26, 60, 139, 247, 386, 562, 768, 960, 1268
  • 5, 27, 49, 101, 156, 278, 400, 585, 761, 1047
  • 6, 10, 44, 84, 176, 280, 433, 605, 828, 1088
  • 6, 12, 54, 92, 154, 236, 430, 578, 776, 986
  • 6, 12, 60, 120, 210, 336, 502, 704, 934, 1146
  • 6, 14, 54, 113, 203, 322, 504, 681, 929, 1164
  • 6, 29, 71, 152, 266, 402, 585, 763, 1034, 1257
  • 7, 11, 54, 103, 201, 340, 489, 684, 882, 1184
  • 7, 12, 41, 75, 140, 222, 373, 527, 747, 973
  • 7, 12, 43, 68, 146, 238, 367, 534, 767, 986
  • 7, 12, 54, 105, 209, 343, 489, 696, 904, 1195
  • 8, 17, 48, 80, 148, 251, 402, 551, 772, 1048
  • 8, 18, 48, 85, 153, 251, 401, 553, 778, 1032
  • 8, 19, 46, 89, 182, 285, 424, 614, 871, 1097
  • 9, 24, 52, 103, 180, 298, 468, 631, 886, 1136
  • 10, 30, 86, 165, 290, 434, 624, 823, 1054, 1348
  • 10, 37, 88, 167, 290, 439, 620, 833, 1087, 1381
  • 12, 23, 57, 127, 228, 357, 511, 740, 953, 1285
  • 13, 35, 65, 103, 200, 327, 452, 615, 885, 1132
  • 13, 39, 86, 177, 294, 448, 640, 843, 1078, 1368
  • 13, 46, 103, 192, 318, 469, 661, 864, 1125, 1410
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