Structure 2018787

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Citation: Bond, Andrew D.; Warner, Terence E. (2013). Copper scandium zirconium phosphate: occupancy of the M1 and M2 sites in the temperature range 100--300K. Acta Crystallographica Section C, 69, pp. 105-110.

Formula: Cu1.92 O12 P3 Sc Zr

Chemical name: Copper scandium zirconium phosphate

Cell parameters:

  • a = 8.9206(7) Å
  • b = 8.9206(7) Å
  • c = 22.071(2) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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: Cu108 O72 P18 Sc12 Zr12 (Cu18 O12 P3 Sc2 Zr2)

Multiplicity: 1

Coordination sequences:

  • 4, 39, 102, 197, 406, 585, 818, 1130, 1419, 1802
  • 10, 36, 98, 235, 370, 578, 821, 1087, 1422, 1770
  • 12, 50, 106, 288, 436, 602, 928, 1154, 1508, 1924
  • 13, 33, 119, 299, 372, 721, 902, 1176, 1589, 1873
  • 19, 72, 119, 308, 447, 685, 935, 1233, 1562, 1939
  • 20, 56, 161, 277, 467, 670, 946, 1215, 1580, 1922
  • 21, 42, 142, 298, 394, 689, 880, 1178, 1548, 1854
  • 22, 35, 137, 288, 373, 674, 863, 1165, 1526, 1833
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