Structure 1566638

1566635 << 1566638 >> 1566644
Original COD entry Download CIF Download DOT

Citation: Lobban, C.; Finney, J. L.; Kuhs, W. F. (2000). The structure and ordering of ices III and V. The Journal of Chemical Physics, 112, pp. 7169-.

Formula: D2 O

Cell parameters:

  • a = 6.6760(3) Å
  • b = 6.6760(3) Å
  • c = 6.9550(4) Å
  • α = 90.000000°
  • β = 90.000000°
  • γ = 90.000000°

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: D48 O12 (D4 O)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 6, 6, 12, 18, 18, 30, 39, 37
  • 2, 4, 6, 6, 12, 18, 18, 30, 41, 38
  • 2, 4, 6, 6, 12, 18, 18, 34, 43, 39
  • 2, 4, 6, 6, 12, 18, 18, 34, 45, 42
  • 2, 4, 6, 6, 12, 18, 18, 34, 46, 39
  • 2, 4, 6, 6, 12, 18, 18, 34, 46, 41
  • 4, 4, 4, 12, 12, 12, 36, 28, 26, 76
  • 4, 4, 4, 12, 12, 12, 36, 30, 29, 86
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