Structure 1528400

1528398 << 1528400 >> 1528401
Original COD entry Download CIF Download DOT

Citation: Cetinkol, M.; Lee, P.L.; Wilkinson, A.P. (2009). Structural changes accompanying negative thermal expansion on Zr2 (Mo O4) (P O4)2. Journal of Solid State Chemistry, 182, pp. 1304-1311.

Formula: Mo O12 P2 Zr2

Chemical name: Zr2 (Mo O4) (P O4)2

Cell parameters:

  • a = 9.33504 Å
  • b = 12.3243 Å
  • c = 9.16613 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

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Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Mo4 O48 P8 Zr8 (Mo O12 P2 Zr2)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 8, 27, 22, 79, 48, 139, 74, 225
  • 2, 8, 8, 27, 23, 82, 47, 137, 73, 220
  • 2, 8, 8, 28, 23, 81, 47, 134, 73, 226
  • 2, 8, 8, 29, 22, 74, 48, 147, 74, 217
  • 2, 8, 8, 29, 23, 77, 47, 141, 73, 216
  • 2, 8, 8, 30, 23, 74, 47, 144, 73, 216
  • 4, 4, 20, 16, 44, 28, 124, 72, 164, 76
  • 4, 4, 20, 17, 48, 28, 120, 70, 160, 76
  • 6, 6, 18, 14, 66, 42, 102, 50, 198, 114
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