Structure 1565828

1565827 << 1565828 >> 1565829
Original COD entry Download CIF Download DOT

Citation: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemys\/law; Wo\'zniak, Krzysztof (2022). Tracing electron density changes in langbeinite under pressure. IUCrJ, 9, pp. 146-162.

Formula: K2 Mg2 O12 S3

Cell parameters:

  • a = 9.91977(3) Å
  • b = 9.91977(3) Å
  • c = 9.91977(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: Mg8 O48 S12 (Mg2 O12 S3)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 8, 27, 21, 77, 44, 122, 70, 213
  • 2, 8, 8, 28, 21, 71, 44, 134, 70, 210
  • 2, 8, 8, 28, 21, 73, 44, 128, 70, 212
  • 2, 8, 8, 29, 21, 69, 44, 136, 70, 203
  • 4, 4, 20, 16, 44, 26, 112, 66, 152, 73
  • 6, 6, 18, 13, 60, 39, 96, 48, 192, 108
  • 6, 6, 18, 13, 60, 39, 96, 48, 192, 111
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