Structure 7127992

7127991 << 7127992 >> 7127998
Original COD entry Download CIF Download DOT

Citation: Shi, Shuangshuang; Lin, Chensheng; Zhao, Dan; Luo, Min; Cao, Liling; Peng, Guang; Ye, Ning (2021). Unexpected aliovalent cation substitution between two NLO materials LiBa3Bi6(SeO3)7F11 and Ba3Bi6.5(SeO3)7F10.5O0.5.. Chemical communications (Cambridge, England), 57, pp. 2982-2985.

Formula: Ba3 Bi6.5 F10.5 O21.5 Se7

Cell parameters:

  • a = 9.479(3) Å
  • b = 9.479(3) Å
  • c = 9.566(4) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 2D

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)

Dimensionality: 2

Formula: Bi9 F10 O21 Se7 (Bi9 F10 O21 Se7)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 11, 10, 17, 18, 47, 54, 78
  • 2, 7, 6, 25, 18, 49, 36, 75, 45, 105
  • 2, 8, 9, 15, 16, 37, 38, 73, 58, 85
  • 2, 8, 11, 27, 30, 46, 42, 74, 59, 110
  • 2, 9, 7, 17, 18, 43, 34, 73, 47, 99
  • 2, 11, 12, 21, 19, 37, 38, 87, 66, 75
  • 3, 2, 11, 10, 17, 18, 47, 54, 78, 57
  • 3, 3, 15, 12, 42, 30, 64, 39, 93, 51
  • 3, 3, 18, 27, 42, 36, 55, 45, 102, 84
  • 3, 12, 9, 18, 21, 45, 39, 72, 51, 105
  • 5, 14, 14, 23, 17, 51, 62, 92, 42, 74
  • 6, 5, 17, 14, 36, 27, 66, 41, 93, 55
  • 7, 9, 19, 18, 21, 38, 69, 82, 64, 56
  • 7, 10, 17, 16, 37, 38, 73, 58, 85, 49
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