Structure 2106590

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Citation: Sinclair, W.; McLaughlin, G.M.; Ringwood, A.E. (1980). The Structure and Chemistry of a Barium Titanate Hollandite-Type Phase. Acta Crystallographica B (24,1968-38,1982), 36, pp. 2913-2918.

Formula: Al1.1 Ba0.98 Ca0.03 Ni0.48 O16 Ti6.4 Zr0.02

Chemical name: Ba0.98 Ca0.03 Zr0.02 (Al1.10 Ni0.48 Ti6.4) O16

Cell parameters:

  • a = 10.039 Å
  • b = 10.039 Å
  • c = 2.943 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: Al8 Ni8 O16 Ti8 (Al Ni O2 Ti)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba2 Ca2 Zr2 (Ba Ca Zr)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba2 Ca2 Zr2 (Ba Ca Zr)

Multiplicity: 1

span 1 {1 1 1}