Structure 4004025

4004024 << 4004025 >> 4004027
Original COD entry Download CIF Download DOT

Citation: Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie (2021). Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold. Chemistry of Materials, 33, pp. 6514-6521.

Formula: Hg3 P2 S8

Cell parameters:

  • a = 16.52(2) Å
  • b = 8.223(10) Å
  • c = 9.293(11) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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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: Hg12 P8 S32 (Hg3 P2 S8)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 9, 24, 29, 62, 53, 109, 101, 195
  • 2, 6, 10, 25, 28, 62, 59, 118, 94, 178
  • 3, 9, 11, 27, 32, 68, 58, 121, 107, 202
  • 3, 9, 12, 28, 31, 70, 65, 128, 102, 192
  • 4, 6, 16, 20, 48, 40, 80, 80, 168, 134
  • 4, 6, 16, 20, 48, 46, 94, 82, 156, 130
  • 4, 7, 18, 21, 48, 48, 101, 87, 164, 121
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