Structure 9012350

9012349 << 9012350 >> 9012351
Original COD entry Download CIF Download DOT

Citation: Schukow, H.; Breitinger, D. K.; Zeiske, T.; Kubanek, F.; Mohr, J.; Schwab, R. G. (1999). Localization of hydrogen and content of oxonium cations in alunite via neutron diffraction Locality: synthetic Sample: T = 2 K. Zeitschrift fur Anorganische und Allgemeine Chemie, 625, pp. 1047-1050.

Formula: Al3 D12 K0.875 O14.125 S2

Cell parameters:

  • a = 6.943 Å
  • b = 6.943 Å
  • c = 17.227 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

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

Dimensionality: 2

Formula: Al3 D12 O14 S2 (Al3 D12 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 24, 15, 48, 30, 93, 42, 114
  • 2, 10, 16, 29, 31, 58, 58, 89, 73, 119
  • 2, 12, 9, 29, 20, 64, 38, 106, 48, 138
  • 4, 3, 24, 15, 48, 30, 93, 42, 114, 57
  • 4, 16, 14, 39, 25, 79, 42, 113, 53, 153
  • 10, 10, 32, 20, 64, 38, 106, 48, 138, 64
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: Al3 D12 O14 S2 (Al3 D12 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 24, 15, 48, 30, 93, 42, 114
  • 2, 10, 16, 29, 31, 58, 58, 89, 73, 119
  • 2, 12, 9, 29, 20, 64, 38, 106, 48, 138
  • 4, 3, 24, 15, 48, 30, 93, 42, 114, 57
  • 4, 16, 14, 39, 25, 79, 42, 113, 53, 153
  • 10, 10, 32, 20, 64, 38, 106, 48, 138, 64
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: Al3 D12 O14 S2 (Al3 D12 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 24, 15, 48, 30, 93, 42, 114
  • 2, 10, 16, 29, 31, 58, 58, 89, 73, 119
  • 2, 12, 9, 29, 20, 64, 38, 106, 48, 138
  • 4, 3, 24, 15, 48, 30, 93, 42, 114, 57
  • 4, 16, 14, 39, 25, 79, 42, 113, 53, 153
  • 10, 10, 32, 20, 64, 38, 106, 48, 138, 64
span 1 {1 1 1}