Structure 1008948

1008947 << 1008948 >> 1008949
Original COD entry Download CIF Download DOT

Citation: Fanchon, E; Vicat, J; Hodeau, J L; Wolfers, P; Duc Tran Qui; Strobel, P (1987). Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 hollandite.. Acta Crystallographica B (39,1983-), 43, pp. 440-448.

Formula: Ba1.2 Mg1.2 O16 Ti6.8

Chemical name: Barium titanium magnesium oxide (1.2/6.8/1.2/16)

Cell parameters:

  • a = 10.227(3) Å
  • b = 2.981(8) Å
  • c = 9.964(6) Å
  • α = 90°
  • β = 90.77(4)°
  • 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: Ba3 (Ba)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba3 (Ba)

Multiplicity: 1

Coordination sequences:

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