Structure 1561593

1561592 << 1561593 >> 1561594
Original COD entry Download CIF Download DOT

Citation: Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina (2016). Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate. Journal of Solid State Chemistry, 235, pp. 36-42.

Formula: Ca0.66 Mn0.33 O8 P2 Zr

Cell parameters:

  • a = 6.2350(3) Å
  • b = 6.6281(3) Å
  • c = 14.4731(6) Å
  • α = 90.00000°
  • β = 90.00000°
  • γ = 90.00000°

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: Ca4 Mn4 O32 P8 Zr4 (Ca Mn O8 P2 Zr)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 5, 19, 16, 67, 60, 119, 143, 204
  • 2, 6, 7, 35, 30, 80, 93, 148, 161, 260
  • 2, 10, 11, 36, 45, 80, 109, 151, 174, 271
  • 2, 10, 11, 37, 47, 83, 112, 163, 168, 289
  • 2, 11, 16, 33, 43, 80, 95, 154, 171, 263
  • 2, 11, 16, 35, 47, 83, 97, 176, 159, 275
  • 3, 11, 11, 42, 38, 95, 95, 163, 185, 267
  • 4, 4, 24, 23, 58, 87, 113, 135, 238, 215
  • 4, 5, 19, 16, 67, 60, 119, 143, 204, 213
  • 5, 9, 25, 33, 58, 72, 127, 133, 235, 211
  • 8, 9, 25, 35, 62, 80, 134, 149, 223, 206
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