Structure 2230110

2230103 << 2230110 >> 2230126
Original COD entry Download CIF Download DOT

Citation: Upreti, Shailesh; Yakubovich, Olga V.; Chernova, Natasha A.; Whittingham, M. Stanley (2011). A novel lithium copper iron phosphate with idealized formula Li~5~Cu~2~^2+^Fe^3+^(PO~4~)~4~: crystal structure and distribution of defects. Acta Crystallographica Section E, 67, pp. i29-.

Formula: Cu2.1 Fe1.15 Li4.59 O16 P4

Chemical name: Pentalithium dicopper iron tetraphosphate

Cell parameters:

  • a = 4.8950(14) Å
  • b = 7.847(2) Å
  • c = 8.388(2) Å
  • α = 69.472(5)°
  • β = 89.764(6)°
  • γ = 75.501(5)°

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: Cu3 Fe3 Li4 O16 P4 (Cu3 Fe3 Li4 O16 P4)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 14, 34, 51, 101, 131, 194, 233, 329
  • 1, 7, 16, 32, 52, 98, 132, 194, 245, 316
  • 2, 10, 19, 51, 60, 126, 139, 239, 276, 372
  • 2, 10, 20, 58, 77, 121, 160, 242, 282, 378
  • 3, 12, 21, 51, 72, 133, 164, 223, 285, 377
  • 3, 14, 21, 53, 70, 131, 165, 247, 289, 386
  • 3, 14, 21, 62, 76, 125, 168, 250, 287, 401
  • 3, 14, 23, 53, 71, 138, 167, 251, 289, 382
  • 3, 17, 25, 52, 76, 138, 168, 242, 300, 389
  • 4, 7, 35, 46, 87, 111, 181, 227, 342, 363
  • 4, 8, 37, 50, 92, 124, 186, 230, 324, 373
  • 4, 16, 23, 59, 81, 137, 179, 240, 289, 405
  • 6, 14, 28, 46, 86, 140, 174, 244, 284, 410
  • 8, 14, 34, 51, 101, 131, 194, 233, 329, 375
  • 8, 16, 30, 48, 102, 118, 206, 252, 308, 376
  • 8, 16, 32, 52, 98, 132, 194, 245, 316, 377
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