Structure 2102117

2102115 << 2102117 >> 2102118
Original COD entry Download CIF Download DOT

Citation: Krogh Andersen, Anne Marie; Norby, Poul (2000). Ab initio structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from in situ temperature-resolved powder diffraction data. Acta Crystallographica Section B, 56, pp. 618-625.

Formula: H2 O8 P2 Zr

Chemical name: Zirconium Bis(hydrogenortophosphate)

Cell parameters:

  • a = 8.1935(2) Å
  • b = 7.7090(2) Å
  • c = 5.40800(10) Å
  • α = 90.0°
  • β = 90.0°
  • γ = 90.0°

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: O20 P8 Zr2 (O10 P4 Zr)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 29, 59, 30, 94, 127, 208
  • 2, 5, 8, 19, 43, 71, 63, 93, 162, 239
  • 3, 9, 13, 30, 35, 76, 81, 149, 129, 213
  • 3, 9, 13, 31, 35, 72, 78, 153, 123, 213
  • 5, 4, 16, 29, 59, 30, 94, 127, 208, 114
  • 5, 5, 16, 32, 59, 37, 101, 140, 186, 133
  • 6, 12, 24, 16, 54, 80, 134, 78, 168, 232
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