Structure 1563693

1563690 << 1563693 >> 1563694
Original COD entry Download CIF Download DOT

Citation: Mei, Dajiang; Cao, Wangzhu; Wang, Naizheng; Jiang, Xingxing; Zhao, Jun; Wang, Weikang; Dang, Junhui; Zhang, Shiyan; Wu, Yuandong; Rao, Pinhua; Lin, Zheshuai (2021). Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering. Materials Horizons, 8, pp. 2330-2334.

Formula: Ge K S4 Y

Chemical name: KYGeS4

Cell parameters:

  • a = 6.428(6) Å
  • b = 6.641(6) Å
  • c = 8.612(8) Å
  • α = 90°
  • β = 108.07(2)°
  • γ = 90°

List type: noninterleaving

List: 2D

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)

Dimensionality: 2

Formula: Ge2 S8 Y2 (Ge S4 Y)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 8, 24, 18, 44, 26, 58, 34, 76
  • 3, 12, 11, 31, 20, 46, 28, 64, 36, 78
  • 3, 13, 11, 29, 20, 48, 28, 62, 36, 80
  • 3, 13, 11, 30, 20, 46, 28, 64, 36, 78
  • 4, 4, 18, 16, 39, 24, 55, 32, 71, 40
  • 7, 8, 23, 16, 39, 24, 55, 32, 71, 40
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