Structure 4002826

4002825 << 4002826 >> 4002827
Original COD entry Download CIF Download DOT

Citation: Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming (2017). Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties. Chemistry of Materials, 29, pp. 5259-.

Formula: Ba6 Ga2 S16 Zn7

Chemical name: ?

Cell parameters:

  • a = 9.7723(4) Å
  • b = 9.7723(4) Å
  • c = 27.006(2) 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: Ga6 S45 Zn24 (Ga2 S15 Zn8)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 8, 18, 25, 52, 52, 95, 93, 158
  • 2, 6, 8, 18, 25, 52, 52, 96, 92, 158
  • 2, 7, 10, 22, 33, 57, 55, 105, 105, 174
  • 2, 7, 10, 23, 33, 57, 54, 105, 105, 177
  • 3, 9, 13, 25, 25, 58, 58, 106, 99, 171
  • 3, 9, 13, 25, 26, 58, 59, 113, 105, 177
  • 4, 4, 10, 19, 40, 42, 78, 79, 135, 126
  • 4, 4, 11, 19, 40, 42, 78, 78, 138, 126
  • 4, 8, 17, 19, 41, 43, 86, 82, 144, 127
  • 4, 8, 17, 19, 41, 43, 87, 82, 143, 126
  • 4, 10, 13, 29, 30, 59, 61, 117, 103, 178
  • 5, 8, 19, 24, 42, 46, 81, 87, 156, 129
  • 5, 8, 19, 24, 43, 45, 81, 87, 156, 129
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