Structure 1533171

1533170 << 1533171 >> 1533174
Original COD entry Download CIF Download DOT

Citation: Fortes, A.D.; Wood, I.G.; Brodholt, J.P.; Alfredsson, M.; Knight, K.S.; Vocadlo, L.; McGrady, G.S. (2003). A high-resolution neutron powder diffraction study of ammonia dihydrate ((N D3) * 2(D2 O)) phase I. Journal of Chemical Physics, 119, pp. 10806-10813.

Formula: D7 N O2

Chemical name: (N D3) (D2 O)2

Cell parameters:

  • a = 7.091771 Å
  • b = 7.091771 Å
  • c = 7.091771 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: D28 O8 (D7 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 3, 6, 6, 6, 18, 12, 12
  • 2, 3, 5, 4, 8, 8, 8, 12, 20, 16
  • 2, 4, 4, 4, 6, 10, 8, 16, 16, 16
  • 3, 3, 3, 9, 6, 6, 12, 12, 12, 36
  • 4, 3, 3, 6, 6, 6, 18, 12, 12, 24
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