Structure 1514045

1514044 << 1514045 >> 1514046
Original COD entry Download CIF Download DOT

Citation: Nakayama, M.; Nogami, M. (2010). A first-principles study on phase transition induced by charge ordering of Mn3+/Mn4+ in spinel Li Mn2 O4. Solid State Communications, 150, pp. 1329-1333.

Formula: Li Mn2 O4

Chemical name: Lithium Manganese Oxide (1/2/4)

Cell parameters:

  • a = 25.4788 Å
  • b = 25.5137 Å
  • c = 8.2687 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: Mn144 O288 (Mn O2)

Multiplicity: 1

Coordination sequences:

  • 3, 20, 53, 138, 243, 381, 540, 737, 966, 1235
  • 3, 21, 57, 138, 243, 382, 533, 742, 961, 1228
  • 3, 22, 61, 138, 244, 381, 537, 759, 958, 1241
  • 3, 22, 61, 141, 243, 391, 543, 757, 962, 1238
  • 3, 22, 61, 143, 246, 382, 544, 754, 953, 1245
  • 3, 22, 61, 143, 250, 393, 551, 746, 962, 1242
  • 3, 22, 62, 145, 248, 392, 542, 752, 968, 1240
  • 3, 22, 63, 144, 233, 384, 549, 741, 970, 1227
  • 3, 22, 63, 146, 244, 387, 546, 757, 963, 1242
  • 11, 32, 93, 187, 308, 458, 633, 841, 1099, 1352
  • 12, 36, 99, 192, 322, 456, 661, 848, 1121, 1376
  • 12, 38, 105, 192, 328, 462, 663, 856, 1122, 1377
  • 12, 38, 106, 186, 322, 462, 664, 862, 1116, 1372
  • 12, 38, 106, 189, 313, 463, 660, 848, 1123, 1354
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