Structure 9016896

9016895 << 9016896 >> 9016897
Original COD entry Download CIF Download DOT

Citation: Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R. (2012). Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 1. American Mineralogist, 97, pp. 291-298.

Formula: Ca2 Fe2 Nb2 O14 Zr2

Cell parameters:

  • a = 12.670281 Å
  • b = 7.378349 Å
  • c = 11.525772 Å
  • α = 90°
  • β = 100.66950°
  • 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: Fe16 Nb12 O56 Zr8 (Fe4 Nb3 O14 Zr2)

Multiplicity: 1

Coordination sequences:

  • 3, 15, 31, 65, 112, 177, 230, 318, 432, 515
  • 3, 15, 32, 68, 104, 182, 248, 311, 422, 532
  • 3, 19, 41, 69, 109, 205, 248, 321, 439, 555
  • 4, 16, 29, 64, 114, 170, 244, 314, 421, 530
  • 4, 16, 31, 68, 123, 160, 253, 346, 399, 524
  • 4, 19, 34, 73, 120, 182, 240, 343, 447, 537
  • 5, 16, 27, 66, 125, 167, 240, 335, 429, 511
  • 6, 14, 42, 66, 125, 185, 247, 362, 421, 534
  • 7, 11, 43, 70, 125, 185, 244, 343, 435, 558
  • 8, 22, 44, 84, 122, 204, 284, 328, 450, 612
  • 9, 17, 43, 88, 129, 195, 264, 364, 449, 576
  • 9, 20, 49, 74, 145, 196, 260, 361, 474, 547
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