Structure 1000428

1000427 << 1000428 >> 1000429
Original COD entry Download CIF Download DOT

Citation: Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D (1996). Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12. Acta Crystallographica B (39,1983-), 52, pp. 780-789.

Formula: Ba0.86 Ca2 In6 O12

Chemical name: Barium calcium indium oxide (0.86/2/6/12)

Cell parameters:

  • a = 9.8880(1) Å
  • b = 9.8880(1) Å
  • c = 3.2170(1) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 2

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

Dimensionality: 3

Formula: In6 O12 (In O2)

Multiplicity: 1

Coordination sequences:

  • 3, 16, 26, 74, 95, 160, 247, 267, 439, 504
  • 3, 23, 39, 73, 131, 160, 278, 320, 407, 584
  • 10, 21, 47, 89, 122, 202, 259, 353, 468, 542
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba4 (Ba)

Multiplicity: 1

Coordination sequences:

  • 6, 6, 6, 6, 6, 6, 6, 6, 6, 6
span 1 {1 1 1}