Structure 2013673

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Original COD entry Download CIF Download DOT

Citation: Kimura, Teiichi; Goto, Takashi; Yamane, Hisanori; Iwata, Hiroaki; Kajiwara, Takashi; Akashi, Takaya (2003). A ferroelectric barium titanate, BaTi~2~O~5~. Acta Crystallographica Section C, 59, pp. i128-i130.

Formula: Ba O5 Ti2

Chemical name: monobarium dititanium pentaoxide

Cell parameters:

  • a = 16.899(3) Å
  • b = 3.9350(6) Å
  • c = 9.4105(15) Å
  • α = 90.00°
  • β = 103.103(3)°
  • γ = 90.00°

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: O30 Ti12 (O5 Ti2)

Multiplicity: 1

Coordination sequences:

  • 1, 8, 20, 41, 43, 101, 127, 218, 236, 312
  • 2, 12, 21, 65, 73, 141, 147, 238, 282, 374
  • 2, 12, 24, 78, 84, 144, 156, 256, 324, 374
  • 2, 14, 26, 46, 70, 131, 147, 230, 267, 369
  • 2, 14, 31, 70, 64, 143, 183, 267, 284, 372
  • 3, 17, 23, 49, 67, 136, 149, 242, 273, 362
  • 3, 19, 30, 51, 69, 136, 169, 252, 300, 371
  • 4, 24, 36, 40, 90, 130, 200, 216, 311, 388
  • 7, 13, 46, 54, 113, 120, 200, 240, 318, 390
  • 9, 20, 41, 43, 101, 127, 218, 236, 312, 390
  • 12, 26, 30, 59, 95, 154, 181, 253, 328, 393
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