Structure 7124453

7124429 << 7124453 >> 7124489
Original COD entry Download CIF Download DOT

Citation: Cao, Wangzhu; Mei, Dajiang; Yang, Yi; Wu, YuanWang; Zhang, Lingyun; Wu, Yuandong; He, Xiao; Lin, Zheshuai; Huang, Fu Qiang (2019). From CuFeS2 to Ba6Cu2FeGe4S16: Rational Band Gap Engineering Achieves Large Second-Harmonic-Generation Together with High Laser Damage Threshold. Chemical Communications, , pp. -.

Formula: Ba6 Cu2 Fe Ge4 S16

Cell parameters:

  • a = 14.2342(6) Å
  • b = 14.2342(6) Å
  • c = 14.2342(6) 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: Cu12 Fe12 Ge16 S64 (Cu3 Fe3 Ge4 S16)

Multiplicity: 1

span 1 {1 1 1}