Structure 2018786

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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 = 8.9344(5) Å
  • b = 8.9344(5) Å
  • c = 22.0918(16) 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, 38, 99, 194, 395, 573, 823, 1116, 1414, 1799
  • 10, 36, 97, 231, 367, 574, 820, 1082, 1419, 1763
  • 12, 48, 104, 274, 410, 610, 902, 1142, 1518, 1904
  • 13, 33, 119, 290, 369, 706, 881, 1185, 1592, 1834
  • 19, 56, 157, 275, 462, 670, 941, 1214, 1573, 1914
  • 19, 69, 119, 302, 444, 682, 938, 1227, 1556, 1933
  • 20, 41, 136, 275, 398, 658, 867, 1158, 1517, 1833
  • 22, 35, 137, 282, 376, 664, 858, 1160, 1528, 1830
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