Structure 1566662

1566652 << 1566662 >> 1566717
Original COD entry Download CIF Download DOT

Citation: Komatsu, K.; Klotz, S.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Kagi, H. (2020). Anomalous hydrogen dynamics of the ice VII-VIII transition revealed by high-pressure neutron diffraction. Proceedings of the National Academy of Sciences, 117, pp. 6356-.

Formula: D2 O

Cell parameters:

  • a = 4.39005(18) Å
  • b = 4.39005 Å
  • c = 6.3030(4) Å
  • α = 90.0°
  • β = 90.0°
  • γ = 90.0°

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: D16 O4 (D4 O)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 6, 6, 12, 18, 18, 36, 48, 36
  • 4, 4, 4, 12, 12, 12, 36, 36, 24, 60
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: D16 O4 (D4 O)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 6, 6, 12, 18, 18, 36, 48, 36
  • 4, 4, 4, 12, 12, 12, 36, 36, 24, 60
span 1 {1 1 1}