Structure 9009772

9009771 << 9009772 >> 9009773
Original COD entry Download CIF Download DOT

Citation: Coelho, A. A.; Cheary, R. W.; Smith, K. L. (1997). Analysis and structural determination of Nd-substituted zirconolite-4M. Journal of Solid State Chemistry, 129, pp. 346-359.

Formula: Ca2.55 Nd1.91 O28 Ti7.28 Zr3.22

Cell parameters:

  • a = 12.522 Å
  • b = 7.222 Å
  • c = 22.987 Å
  • α = 90°
  • β = 84.791°
  • 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: Ca20 Nd20 O112 Ti52 Zr44 (Ca5 Nd5 O28 Ti13 Zr11)

Multiplicity: 1

Coordination sequences:

  • 1, 27, 103, 287, 467, 891, 1101, 1753, 2103, 2925
  • 1, 28, 94, 299, 460, 877, 1119, 1777, 2078, 2930
  • 1, 29, 98, 281, 482, 850, 1163, 1723, 2132, 2923
  • 5, 35, 157, 313, 675, 941, 1495, 1805, 2635, 2971
  • 5, 43, 152, 345, 643, 950, 1462, 1822, 2597, 2988
  • 5, 43, 168, 352, 642, 991, 1391, 1939, 2433, 3178
  • 5, 55, 164, 369, 640, 1000, 1428, 1924, 2509, 3149
  • 6, 41, 130, 329, 572, 968, 1296, 1907, 2324, 3169
  • 6, 43, 158, 348, 620, 1003, 1366, 1975, 2382, 3228
  • 6, 54, 173, 376, 641, 1016, 1367, 1976, 2435, 3246
  • 6, 54, 180, 373, 652, 992, 1435, 1882, 2555, 3091
  • 6, 58, 167, 385, 633, 1009, 1412, 1945, 2449, 3198
  • 7, 40, 147, 328, 632, 947, 1374, 1864, 2452, 3092
  • 7, 44, 142, 351, 622, 950, 1428, 1836, 2512, 3047
  • 7, 44, 156, 376, 655, 977, 1456, 1872, 2562, 3097
  • 7, 63, 172, 385, 659, 1016, 1429, 1936, 2518, 3167
  • 8, 56, 178, 377, 650, 1012, 1428, 1940, 2504, 3134
  • 9, 69, 181, 446, 674, 1145, 1447, 2167, 2500, 3480
  • 9, 71, 182, 471, 657, 1183, 1408, 2219, 2441, 3477
  • 10, 65, 165, 429, 647, 1109, 1389, 2117, 2423, 3453
  • 12, 55, 169, 400, 666, 1075, 1441, 2030, 2546, 3309
  • 13, 71, 192, 475, 695, 1218, 1486, 2213, 2617, 3493
  • 13, 90, 210, 514, 736, 1221, 1537, 2229, 2648, 3507
  • 14, 85, 210, 452, 742, 1166, 1524, 2186, 2613, 3491
  • 14, 89, 201, 492, 719, 1223, 1515, 2254, 2612, 3546
  • 15, 76, 202, 487, 717, 1194, 1514, 2221, 2642, 3542
  • 15, 113, 239, 533, 757, 1263, 1583, 2281, 2759, 3545
  • 16, 83, 210, 452, 742, 1166, 1524, 2186, 2613, 3491
  • 16, 87, 201, 492, 719, 1223, 1515, 2254, 2612, 3546
  • 16, 88, 213, 510, 714, 1239, 1525, 2244, 2653, 3564
  • 28, 103, 287, 467, 891, 1101, 1753, 2103, 2925, 3397
  • 29, 94, 299, 460, 877, 1119, 1777, 2078, 2930, 3383
  • 30, 98, 281, 482, 850, 1163, 1723, 2132, 2923, 3384
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