Structure 1000416

1000415 << 1000416 >> 1000418
Original COD entry Download CIF Download DOT

Citation: Goutenoire, F; Caignaert, V; Hervieu, M; Raveau, B (1995). The calcium thallate Ca3 Tl4 O9, an intergrowth of the Ca Tl2 O4 and Ca2 Tl2 O5 structures, member n=1.5 of the series Can Tl2 On+3. Journal of Solid State Chemistry, 119, pp. 134-141.

Formula: Ca3.06 O9 Tl3.94

Chemical name: Calcium thallium(III) oxide (3.1/3.9/9)

Cell parameters:

  • a = 11.118(3) Å
  • b = 3.341(1) Å
  • c = 12.287(3) Å
  • α = 90°
  • β = 102.88(2)°
  • 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: Ca4 O18 Tl10 (Ca2 O9 Tl5)

Multiplicity: 1

Coordination sequences:

  • 1, 11, 36, 83, 123, 215, 287, 394, 552, 672
  • 2, 21, 60, 115, 181, 299, 390, 487, 700, 816
  • 3, 19, 39, 84, 163, 249, 329, 477, 592, 694
  • 3, 24, 55, 103, 172, 240, 337, 478, 617, 745
  • 4, 26, 46, 102, 184, 280, 350, 526, 624, 738
  • 5, 34, 69, 125, 196, 266, 384, 525, 668, 787
  • 11, 28, 59, 122, 205, 288, 398, 542, 637, 817
  • 12, 36, 83, 123, 215, 287, 394, 552, 672, 866
  • 14, 44, 72, 150, 202, 280, 418, 548, 690, 802
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