Structure 9016627

9016626 << 9016627 >> 9016628
Original COD entry Download CIF Download DOT

Citation: Wills, A. S.; Henry, J. Y. (2008). On the crystal and magnetic ordering structures of clinoatacamite, gamma-Cu2(OD)3Cl, a proposed valence bond solid. Journal of Physics: Condensed Matter, 20, pp. 472206-472208.

Formula: Cl Cu2 D3 O3

Cell parameters:

  • a = 6.15175 Å
  • b = 6.81606 Å
  • c = 9.10541 Å
  • α = 90°
  • β = 99.8394°
  • 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: Cl4 Cu8 D12 O12 (Cl Cu2 D3 O3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 18, 44, 91, 161, 251, 345, 479, 601
  • 3, 16, 42, 82, 156, 251, 339, 480, 594, 781
  • 4, 18, 44, 91, 161, 251, 345, 479, 601, 779
  • 8, 22, 50, 106, 186, 262, 388, 490, 662, 790
  • 12, 32, 66, 126, 186, 292, 378, 530, 642, 840
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