Structure 1528356

1528355 << 1528356 >> 1528357
Original COD entry Download CIF Download DOT

Citation: Bindi, L.; Petricek, V.; Bonazzi, P.; Withers, R.L.; Zoppi, M. (2006). A novel high-temperature commensurate superstructure in a natural bariopyrochlore: a structural study by means of a multiphase crystal structure refinement. Journal of Solid State Chemistry, 179, pp. 729-738.

Formula: Ba20 Nb16 O53 Ti2

Chemical name: Ba20 Nb16 Ti2 O53

Cell parameters:

  • a = 20.974 Å
  • b = 20.974 Å
  • c = 20.974 Å
  • α = 90°
  • β = 90°
  • 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: Ba144 Nb128 O424 Ti16 (Ba18 Nb16 O53 Ti2)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 17, 37, 64, 97, 127, 186, 234, 330
  • 2, 10, 8, 35, 34, 120, 116, 213, 232, 300
  • 2, 10, 8, 37, 46, 122, 110, 245, 194, 404
  • 2, 10, 12, 46, 44, 119, 111, 223, 258, 375
  • 2, 10, 12, 49, 47, 127, 135, 246, 265, 357
  • 2, 11, 12, 40, 53, 121, 124, 233, 202, 419
  • 2, 12, 14, 46, 72, 134, 148, 223, 225, 376
  • 2, 12, 16, 46, 71, 135, 132, 222, 226, 398
  • 3, 13, 16, 55, 54, 127, 133, 232, 265, 381
  • 3, 13, 24, 69, 69, 87, 201, 185, 291, 309
  • 4, 22, 32, 56, 95, 100, 204, 226, 337, 343
  • 5, 14, 25, 48, 78, 110, 171, 194, 321, 337
  • 6, 6, 27, 24, 90, 97, 198, 199, 267, 346
  • 6, 6, 27, 30, 96, 99, 204, 161, 366, 304
  • 6, 8, 34, 37, 94, 95, 193, 212, 343, 343
  • 7, 10, 33, 49, 104, 114, 198, 195, 341, 309
  • 7, 14, 35, 49, 81, 130, 149, 267, 265, 423
  • 9, 19, 48, 72, 72, 154, 186, 259, 309, 408
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