Structure 1000388

1000387 << 1000388 >> 1000389
Original COD entry Download CIF Download DOT

Citation: Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B (1995). The calcium thallate Ca3 Tl2 O6, third member of the series Can Tl2 On+3. Journal of Solid State Chemistry, 115, pp. 508-513.

Formula: Ca2.8 O6 Tl2.2

Chemical name: Tricalcium dithallate

Cell parameters:

  • a = 11.248(2) Å
  • b = 16.51299(200) Å
  • c = 3.3329(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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 O24 Tl16 (Ca O3 Tl2)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 30, 71, 138, 227, 331, 512, 659, 793
  • 1, 11, 38, 83, 151, 256, 362, 489, 670, 902
  • 3, 20, 41, 108, 184, 280, 401, 608, 738, 891
  • 3, 21, 47, 106, 179, 286, 417, 598, 725, 919
  • 3, 23, 59, 110, 197, 309, 427, 570, 784, 977
  • 4, 29, 70, 136, 222, 357, 473, 637, 862, 1074
  • 4, 30, 64, 134, 228, 342, 456, 602, 842, 1052
  • 4, 32, 80, 124, 230, 348, 476, 622, 828, 1026
  • 5, 30, 61, 126, 222, 326, 453, 619, 820, 1023
  • 7, 19, 63, 115, 216, 315, 448, 621, 811, 1015
  • 10, 30, 71, 138, 227, 331, 512, 659, 793, 1063
  • 12, 38, 83, 151, 256, 362, 489, 670, 902, 1078
  • 13, 43, 85, 154, 258, 377, 513, 692, 881, 1077
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