Structure 1514004

1514001 << 1514004 >> 1514005
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: Li0.956 Mn2.044 O4

Chemical name: Lithium Manganese Oxide (0.96/2.04/4)

Cell parameters:

  • a = 8.2579(3) Å
  • b = 8.2579(3) Å
  • c = 8.2579(3) Å
  • α = 90.°
  • β = 90.°
  • γ = 90.°

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: Li8 Mn24 O32 (Li Mn3 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 12, 52, 124, 262, 406, 644, 884, 1186
  • 4, 26, 69, 169, 299, 481, 694, 952, 1243, 1583
  • 5, 12, 52, 124, 262, 406, 644, 884, 1186, 1498
  • 12, 44, 122, 230, 398, 588, 834, 1100, 1430, 1772
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