Structure 2104291

2104274 << 2104291 >> 2104292
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 - alpha at P = 4.3 GPa

Cell parameters:

  • a = 7.3786(5) Å
  • b = 4.3992(3) Å
  • c = 6.3388(5) Å
  • α = 90°
  • β = 104.374(5)°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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, 7, 19, 25, 64, 65, 137, 131, 243
  • 3, 4, 14, 20, 50, 54, 118, 116, 217, 186
  • 3, 9, 12, 33, 39, 87, 86, 169, 152, 277
  • 3, 11, 16, 42, 49, 102, 97, 183, 161, 290
  • 4, 6, 14, 18, 52, 54, 116, 114, 216, 186
  • 6, 10, 28, 34, 74, 74, 144, 130, 238, 202
span 1 {1 1 1}