Structure 1535992

1535991 << 1535992 >> 1535993
Original COD entry Download CIF Download DOT

Citation: Verbaere, A.; Dion, M.; Tournoux, M. (1975). Structures et problemes d'ordre dans des phases Tlx (My Ti1-y) O2. Revue de Chimie Minerale, 12, pp. 156-174.

Formula: Mg0.1025 O2 Ti0.8975 Tl0.205

Chemical name: Tl0.205 (Mg0.1025 Ti0.8975) O2

Cell parameters:

  • a = 10.181 Å
  • b = 10.181 Å
  • c = 2.975 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

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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
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CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Tl6 (Tl)

Multiplicity: 1

Coordination sequences:

  • 13, 13, 13, 13, 13, 12, 12, 12, 12, 12
  • 14, 13, 13, 13, 12, 12, 12, 12, 12, 12
  • 14, 14, 13, 12, 12, 12, 12, 12, 12, 12
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CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Tl6 (Tl)

Multiplicity: 1

Coordination sequences:

  • 13, 13, 12, 12, 12, 12, 12, 12, 12, 12
  • 14, 12, 12, 12, 12, 12, 12, 12, 12, 12
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