Structure 2017581

2017580 << 2017581 >> 2017590
Original COD entry Download CIF Download DOT

Citation: Zhang, Ai-Yun; Zheng, Juan; Wang, Qiu-Fen (2010). Ba~5~Cl~4~(H~2~O)~8~(VPO~5~)~8~: a novel three-dimensional framework solid. Acta Crystallographica Section C, 66, pp. i22-i24.

Formula: Ba5 Cl4 H16 O48 P8 V8

Chemical name: pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate)

Cell parameters:

  • a = 13.5073(8) Å
  • b = 8.8803(5) Å
  • c = 35.482(2) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 2D

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

Dimensionality: 2

Formula: O80 P16 V16 (O5 P V)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 12, 8, 28, 12, 28, 16, 52
  • 2, 7, 6, 19, 10, 29, 14, 39, 18, 49
  • 4, 4, 16, 8, 20, 12, 40, 16, 36, 20
  • 5, 4, 12, 8, 28, 12, 28, 16, 52, 20
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: O80 P16 V16 (O5 P V)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 12, 8, 28, 12, 28, 16, 52
  • 2, 7, 6, 19, 10, 29, 14, 39, 18, 49
  • 4, 4, 16, 8, 20, 12, 40, 16, 36, 20
  • 5, 4, 12, 8, 28, 12, 28, 16, 52, 20
span 1 {1 1 1}