Structure 9007499

9007498 << 9007499 >> 9007500
Original COD entry Download CIF Download DOT

Citation: Xiang, Shi-Bin; Fan, Hai-Fu; Wu, Xiao-Jing; Li, Fang-Hua; Pan, Q. (1990). Direct methods in superspace. II The first application to an unknown incommensurate modulated structure Note: this is the average structure, isomorphous with hollandite Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra. Acta Crystallographica, Section A, 46, pp. 929-934.

Formula: Ba0.4 O8 Ti4

Cell parameters:

  • a = 10.12 Å
  • b = 10.12 Å
  • c = 2.96 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: O16 Ti8 (O2 Ti)

Multiplicity: 1

Coordination sequences:

  • 3, 23, 42, 69, 147, 209, 258, 373, 492, 607
  • 3, 26, 67, 82, 145, 270, 323, 374, 541, 700
  • 12, 34, 54, 105, 178, 236, 316, 429, 546, 672
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba (Ba)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba (Ba)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}