Structure 2002238

2002237 << 2002238 >> 2002239
Original COD entry Download CIF Download DOT

Citation: Schmachtel, J; Mueller-Buschbaum, H (1980). Oxotitanate mit gemischter Valenz, III Zur Kenntnis von Ba Ti8 O16. Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,Organische Chemie (33,1978-41,1986), 35, pp. 332-334.

Formula: Ba O16 Ti8

Chemical name: Barium titanium oxide (1/8/16)

Cell parameters:

  • a = 14.209 Å
  • b = 2.971 Å
  • c = 9.981 Å
  • α = 90°
  • β = 133.5°
  • 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, 16, 26, 74, 95, 137, 248, 252, 390, 467
  • 3, 23, 39, 70, 138, 158, 257, 333, 371, 535
  • 10, 21, 47, 86, 115, 197, 245, 317, 429, 491
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

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;1;0)

Dimensionality: 1

Formula: Ba (Ba)

Multiplicity: 1

Coordination sequences:

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