Structure 9007014

9007013 << 9007014 >> 9007015
Original COD entry Download CIF Download DOT

Citation: Bonaccorsi, E.; Merlino, S.; Pasero, M.; Macedonio, G. (2001). Microsommite: crystal chemistry, phase transitions, Ising model and Monte Carlo simulations. Physics and Chemistry of Minerals, 28, pp. 509-522.

Formula: Al9 Ca3 Cl3 K3.36 Na5.64 O42 S1.5 Si9

Cell parameters:

  • a = 22.161 Å
  • b = 22.161 Å
  • c = 5.358 Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 4

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, 64, 42, 104
  • 2, 6, 6, 17, 14, 38, 26, 64, 42, 104
  • 2, 6, 6, 18, 14, 35, 26, 70, 42, 96
  • 4, 4, 12, 10, 28, 20, 52, 34, 84, 54
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CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: K6 Na6 O18 S2 (K3 Na3 O9 S)

Multiplicity: 1

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CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: K3 Na3 O12 S (K3 Na3 O12 S)

Multiplicity: 1

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CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: K3 Na3 O12 S (K3 Na3 O12 S)

Multiplicity: 1

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