Structure 9012282

9012278 << 9012282 >> 9012283
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 = 123 K, 3T weberite-type structure. Journal of Solid State Chemistry, 174, pp. 285-295.

Formula: Ca3.906 Nd0.154 O14 Ta3.78 Zr0.16

Cell parameters:

  • a = 7.356 Å
  • b = 7.356 Å
  • c = 18.116 Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: Ca9 Nd18 O42 Ta12 Zr9 (Ca3 Nd6 O14 Ta4 Zr3)

Multiplicity: 1

Coordination sequences:

  • 1, 21, 87, 236, 463, 787, 1121, 1643, 2061, 2807
  • 1, 21, 90, 251, 450, 798, 1103, 1658, 2048, 2830
  • 3, 39, 122, 303, 525, 909, 1219, 1814, 2204, 3034
  • 6, 45, 135, 322, 566, 926, 1304, 1826, 2353, 3029
  • 6, 45, 141, 326, 592, 920, 1349, 1828, 2396, 3034
  • 6, 52, 164, 362, 617, 970, 1370, 1878, 2423, 3086
  • 7, 34, 119, 279, 524, 866, 1228, 1746, 2248, 2938
  • 7, 38, 147, 334, 586, 936, 1326, 1831, 2372, 3027
  • 7, 39, 142, 322, 599, 919, 1345, 1811, 2389, 3009
  • 7, 39, 143, 324, 584, 915, 1327, 1814, 2377, 3010
  • 8, 18, 87, 225, 456, 741, 1137, 1567, 2124, 2680
  • 10, 42, 156, 370, 610, 1010, 1344, 1960, 2378, 3220
  • 15, 85, 225, 454, 746, 1133, 1560, 2122, 2684, 3417
  • 16, 92, 245, 489, 739, 1197, 1531, 2247, 2611, 3595
  • 20, 88, 223, 457, 742, 1136, 1560, 2129, 2677, 3424
  • 22, 87, 236, 463, 787, 1121, 1643, 2061, 2807, 3307
  • 22, 90, 251, 450, 798, 1103, 1658, 2048, 2830, 3276
  • 22, 100, 243, 503, 747, 1219, 1533, 2253, 2601, 3605
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