Structure 1001251

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Original COD entry Download CIF Download DOT

Citation: Agafonov, V; Kahn, A; Michel, D; Guymont, M (1983). Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite. Materials Research Bulletin, 18, pp. 975-981.

Formula: Ba O4 Sc2

Chemical name: Barium discandium oxide

Cell parameters:

  • a = 9.84 Å
  • b = 5.81 Å
  • c = 20.65 Å
  • α = 90°
  • β = 90.(0)°
  • 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: O48 Sc24 (O2 Sc)

Multiplicity: 1

Coordination sequences:

  • 2, 12, 18, 58, 62, 120, 146, 210, 292, 372
  • 2, 12, 18, 58, 67, 119, 139, 219, 289, 356
  • 2, 14, 24, 34, 78, 130, 148, 242, 244, 356
  • 3, 13, 19, 55, 64, 126, 156, 233, 257, 375
  • 3, 13, 19, 56, 65, 125, 160, 235, 268, 359
  • 3, 14, 21, 52, 65, 133, 149, 240, 279, 350
  • 4, 16, 19, 53, 72, 128, 174, 242, 238, 389
  • 6, 11, 32, 37, 82, 119, 193, 223, 296, 325
  • 7, 10, 37, 47, 97, 111, 177, 231, 308, 376
  • 8, 14, 28, 56, 94, 124, 202, 212, 317, 344
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