Structure 9004436

9004435 << 9004436 >> 9004437
Original COD entry Download CIF Download DOT

Citation: Ballirano, P.; Merlino, S.; Bonaccorsi, E.; Maras, A. (1996). The crystal structure of liottite, a six-layer member of the cancrinite group. The Canadian Mineralogist, 34, pp. 1021-1030.

Formula: Al18 Ca6 Cl3.5 F0.501 K33 O92 S5.002 Si18

Cell parameters:

  • a = 12.870 Å
  • b = 12.870 Å
  • c = 16.096 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

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 2

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

Dimensionality: 3

Formula: Al18 O72 Si18 (Al O4 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 14, 39, 26, 66, 42, 100
  • 2, 6, 6, 16, 14, 40, 26, 62, 42, 106
  • 2, 6, 6, 16, 14, 41, 26, 60, 42, 108
  • 2, 6, 6, 17, 14, 37, 26, 66, 42, 102
  • 2, 6, 6, 17, 14, 37, 26, 68, 42, 98
  • 2, 6, 6, 17, 14, 38, 26, 64, 42, 104
  • 2, 6, 6, 18, 14, 35, 26, 68, 42, 100
  • 2, 6, 6, 18, 14, 35, 26, 70, 42, 96
  • 4, 4, 12, 10, 28, 20, 52, 34, 84, 52
  • 4, 4, 12, 10, 28, 20, 52, 34, 84, 53
  • 4, 4, 12, 10, 28, 20, 52, 34, 84, 54
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: Ca6 Cl F3 K33 Os52 S13 (Ca6 Cl F3 K33 Os52 S13)

Multiplicity: 1

span 1 {1 1 1}