Structure 1000380

1000379 << 1000380 >> 1000381
Original COD entry Download CIF Download DOT

Citation: Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B (1995). Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3. Journal of Solid State Chemistry, 114, pp. 428-434.

Formula: Ca1.88 O5 Tl2.12

Chemical name: Calcium thallium oxide (1.9/2.1/5)

Cell parameters:

  • a = 3.3431(1) Å
  • b = 11.159(1) Å
  • c = 13.499(1) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: Ca8 O20 Tl12 (Ca2 O5 Tl3)

Multiplicity: 1

Coordination sequences:

  • 1, 11, 36, 84, 131, 246, 321, 489, 568, 845
  • 2, 22, 68, 140, 190, 346, 448, 626, 684, 1058
  • 3, 24, 55, 105, 187, 292, 385, 528, 716, 886
  • 5, 34, 69, 128, 220, 326, 414, 599, 766, 946
  • 12, 36, 84, 131, 246, 321, 489, 568, 845, 910
  • 14, 44, 72, 156, 234, 358, 414, 674, 766, 1008
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