Structure 2107229

2107228 << 2107229 >> 2107230
Original COD entry Download CIF Download DOT

Citation: Cheary, R.W.; Squadrito, R. (1989). A structural analysis of barium magnesium hollandites. Acta Crystallographica B (39,1983-), 45, pp. 205-212.

Formula: Ba1.33 Mg1.33 O16 Ti6.67

Chemical name: Ba1.33 (Mg1.33 Ti6.67) O16

Cell parameters:

  • a = 10.2609 Å
  • b = 2.98052 Å
  • c = 9.9212 Å
  • α = 90°
  • β = 91.072°
  • 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: Mg8 O16 Ti8 (Mg O2 Ti)

Multiplicity: 1

Coordination sequences:

  • 6, 16, 40, 86, 128, 197, 297, 362, 510, 590
  • 6, 23, 53, 96, 165, 227, 334, 422, 517, 700
  • 7, 16, 42, 82, 140, 227, 287, 410, 498, 635
  • 11, 29, 61, 107, 161, 253, 322, 433, 551, 658
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba2 (Ba)

Multiplicity: 1

Coordination sequences:

  • 4, 4, 4, 4, 4, 4, 4, 4, 4, 4
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba2 (Ba)

Multiplicity: 1

Coordination sequences:

  • 4, 4, 4, 4, 4, 4, 4, 4, 4, 4
span 1 {1 1 1}