Structure 1514005

1514004 << 1514005 >> 1514006
Original COD entry Download CIF Download DOT

Citation: Piszora, P.; Catlow, C. R. A.; Woodley, S. M.; Wolska, E. (2000). Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides. Computers and Chemistry, 24, pp. 609-613.

Formula: Li1.049 Mn1.951 O4

Chemical name: Lithium Manganese Oxide (1.05/1.95/4)

Cell parameters:

  • a = 8.1845(3) Å
  • b = 8.1845(3) Å
  • c = 8.1845(3) Å
  • α = 90.°
  • β = 90.°
  • γ = 90.°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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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: Li24 Mn24 O32 (Li3 Mn3 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 12, 64, 140, 310, 494, 788, 1064, 1474
  • 1, 12, 50, 140, 278, 476, 714, 1016, 1340, 1760
  • 4, 29, 79, 199, 359, 583, 839, 1168, 1511, 1955
  • 5, 12, 64, 140, 310, 494, 788, 1064, 1474, 1802
  • 13, 50, 140, 278, 476, 714, 1016, 1340, 1760, 2162
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