Structure 2104292

2104291 << 2104292 >> 2104293
Original COD entry Download CIF Download DOT

Citation: Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M. (2009). High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data. Acta Crystallographica Section B, 65, pp. 1-10.

Formula: B3 Bi O6

Chemical name: bismuth borate - epsilon at P = 8.34 GPa

Cell parameters:

  • a = 7.4781(6) Å
  • b = 3.9340(4) Å
  • c = 6.2321(6) Å
  • α = 93.728(8)°
  • β = 102.933(6)°
  • γ = 90.756(7)°

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: B6 Bi2 O12 (B3 Bi O6)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 8, 28, 40, 77, 90, 158, 158, 248
  • 2, 6, 11, 27, 41, 82, 100, 156, 169, 248
  • 2, 8, 13, 27, 44, 85, 98, 150, 169, 237
  • 3, 5, 20, 27, 56, 68, 136, 130, 213, 209
  • 3, 9, 12, 31, 43, 94, 96, 165, 163, 261
  • 3, 10, 14, 37, 49, 97, 99, 172, 172, 270
  • 3, 12, 16, 37, 49, 99, 102, 172, 167, 266
  • 4, 6, 17, 26, 64, 74, 123, 138, 219, 211
  • 4, 7, 16, 29, 52, 82, 117, 143, 194, 223
  • 6, 10, 21, 31, 74, 76, 131, 136, 218, 207
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