Structure 1529582

1529581 << 1529582 >> 1529585
Original COD entry Download CIF Download DOT

Citation: Bagshaw, A.N.; Doran, B.H.; White, A.H.; Willis, A.C. (1977). Crystal structure of a natural potassium-barium hexatitanate isostructural with K2 Ti6 O13. Australian Journal of Chemistry, 30, pp. 1195-1200.

Formula: Ba0.72 K1.16 O13 Ti6

Chemical name: (K0.58 Ba0.36)2 (Ti6 O13)

Cell parameters:

  • a = 15.453 Å
  • b = 3.8368 Å
  • c = 9.123 Å
  • α = 90°
  • β = 99.25°
  • 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: O26 Ti12 (O13 Ti6)

Multiplicity: 1

Coordination sequences:

  • 2, 14, 24, 47, 73, 122, 177, 222, 293, 376
  • 2, 16, 27, 36, 78, 129, 191, 217, 272, 385
  • 2, 16, 36, 74, 100, 128, 204, 294, 378, 414
  • 2, 18, 39, 62, 91, 149, 226, 278, 314, 422
  • 3, 18, 28, 64, 86, 142, 192, 251, 328, 404
  • 4, 22, 32, 55, 87, 146, 205, 256, 318, 397
  • 4, 24, 33, 44, 88, 145, 215, 247, 302, 413
  • 9, 19, 46, 68, 102, 154, 212, 289, 355, 417
  • 11, 24, 36, 62, 110, 169, 223, 251, 340, 453
  • 12, 26, 33, 60, 107, 173, 219, 258, 341, 445
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