Structure 7127991

7127910 << 7127991 >> 7127992
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 F11 Li O21 Se7

Cell parameters:

  • a = 9.340(3) Å
  • b = 9.340(3) Å
  • c = 9.710(5) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

List type: interleaving

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 2

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Bi3 F3 O15 Se5 (Bi3 F3 O15 Se5)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 7, 22, 14, 37, 20, 51, 27, 65
  • 2, 8, 8, 26, 16, 34, 16, 54, 32, 72
  • 2, 8, 8, 27, 16, 39, 21, 53, 27, 70
  • 2, 12, 10, 20, 10, 36, 24, 60, 30, 60
  • 3, 3, 17, 13, 30, 16, 41, 23, 67, 35
  • 3, 3, 18, 15, 39, 21, 42, 18, 66, 39
  • 7, 7, 19, 11, 30, 18, 53, 29, 59, 27
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CIF datablock 1, entity 2 of 2

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Bi3 F7 O6 Se2 (Bi3 F7 O6 Se2)

Multiplicity: 1

Coordination sequences:

  • 1, 5, 4, 11, 8, 24, 12, 39, 16, 37
  • 2, 7, 5, 19, 10, 25, 14, 41, 17, 50
  • 2, 9, 5, 11, 9, 32, 14, 39, 17, 41
  • 3, 3, 15, 9, 24, 12, 30, 15, 54, 21
  • 3, 12, 6, 12, 9, 36, 15, 36, 18, 48
  • 6, 4, 11, 8, 24, 12, 39, 16, 37, 20
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