Structure 9016894

9016893 << 9016894 >> 9016895
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: CaZrTi2O7. American Mineralogist, 97, pp. 291-298.

Formula: Ca2 O14 Ti4 Zr2

Cell parameters:

  • a = 12.443024 Å
  • b = 7.272901 Å
  • c = 11.380867 Å
  • α = 90°
  • β = 100.56430°
  • 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: O56 Ti20 Zr8 (O14 Ti5 Zr2)

Multiplicity: 1

Coordination sequences:

  • 2, 15, 31, 65, 114, 184, 222, 349, 422, 519
  • 3, 16, 33, 72, 98, 208, 245, 322, 429, 549
  • 3, 18, 26, 63, 129, 161, 249, 332, 414, 539
  • 3, 18, 30, 66, 128, 176, 232, 361, 421, 535
  • 3, 19, 35, 72, 115, 204, 232, 342, 437, 568
  • 3, 21, 38, 69, 129, 197, 238, 365, 451, 532
  • 4, 17, 31, 68, 129, 175, 246, 357, 427, 509
  • 8, 16, 43, 89, 127, 190, 283, 344, 461, 578
  • 8, 16, 45, 65, 150, 182, 264, 375, 435, 530
  • 9, 19, 50, 74, 155, 188, 278, 360, 480, 530
  • 10, 20, 40, 100, 122, 202, 286, 360, 444, 588
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