Structure 1565092

1565091 << 1565092 >> 1565099
Original COD entry Download CIF Download DOT

Citation: Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong (2021). Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.. Materials horizons, 8, pp. 3394-3398.

Formula: Ba3 Ga28 Li6 Rb2 S49

Cell parameters:

  • a = 19.2355(4) Å
  • b = 19.2355(4) Å
  • c = 12.0475(4) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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: Ga56 S98 (Ga4 S7)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 7, 18, 22, 54, 44, 93, 78, 167
  • 2, 6, 8, 20, 22, 55, 42, 87, 74, 161
  • 2, 6, 8, 20, 24, 58, 48, 106, 86, 172
  • 2, 6, 8, 21, 20, 47, 44, 94, 70, 146
  • 2, 6, 8, 21, 22, 53, 49, 106, 84, 177
  • 2, 6, 8, 21, 23, 55, 47, 100, 79, 171
  • 2, 6, 8, 22, 22, 51, 49, 108, 83, 173
  • 2, 6, 10, 24, 24, 59, 53, 110, 85, 183
  • 3, 9, 9, 23, 27, 63, 50, 110, 87, 178
  • 3, 9, 10, 25, 27, 64, 55, 117, 92, 189
  • 4, 5, 13, 16, 42, 36, 78, 62, 134, 104
  • 4, 5, 14, 16, 40, 37, 85, 73, 149, 106
  • 4, 6, 15, 16, 42, 38, 77, 60, 135, 108
  • 4, 6, 16, 14, 34, 36, 82, 62, 118, 90
  • 4, 6, 16, 16, 41, 42, 92, 69, 148, 117
  • 4, 6, 16, 17, 43, 41, 88, 71, 154, 118
  • 4, 12, 10, 23, 28, 66, 52, 107, 82, 174
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