Structure 4004053

4004052 << 4004053 >> 4004054
Original COD entry Download CIF Download DOT

Citation: Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong (2021). Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations. Chemistry of Materials, 33, pp. 8831-8837.

Formula: Cd Cl Ga9 K4 Se16

Cell parameters:

  • a = 8.7720(3) Å
  • b = 10.2955(3) Å
  • c = 10.3146(3) Å
  • α = 68.356(2)°
  • β = 74.920(3)°
  • γ = 84.930(2)°

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: Cd Ga9 Se16 (Cd Ga9 Se16)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 8, 18, 20, 42, 42, 88, 72, 139
  • 2, 6, 8, 19, 21, 44, 42, 86, 75, 144
  • 2, 6, 8, 20, 22, 43, 41, 87, 75, 143
  • 2, 6, 8, 20, 23, 45, 40, 85, 78, 148
  • 2, 6, 9, 20, 19, 43, 47, 91, 76, 147
  • 2, 6, 9, 20, 21, 48, 46, 90, 79, 153
  • 2, 6, 9, 21, 17, 37, 44, 90, 75, 140
  • 2, 6, 10, 22, 23, 47, 44, 93, 77, 146
  • 3, 9, 9, 19, 20, 44, 44, 90, 85, 158
  • 3, 9, 9, 19, 21, 47, 49, 97, 82, 153
  • 3, 9, 9, 20, 26, 55, 47, 93, 82, 161
  • 3, 9, 10, 21, 21, 47, 47, 97, 87, 157
  • 3, 9, 11, 23, 22, 50, 48, 95, 90, 168
  • 3, 9, 11, 23, 23, 50, 50, 100, 87, 159
  • 3, 9, 11, 23, 24, 51, 48, 98, 82, 157
  • 3, 9, 11, 24, 21, 45, 47, 98, 86, 155
  • 4, 6, 14, 14, 31, 33, 69, 62, 123, 109
  • 4, 6, 14, 15, 34, 35, 73, 66, 126, 106
  • 4, 6, 14, 15, 34, 36, 74, 64, 122, 105
  • 4, 6, 14, 16, 35, 37, 77, 64, 126, 111
  • 4, 6, 14, 17, 37, 34, 72, 69, 131, 105
  • 4, 6, 15, 16, 34, 34, 71, 63, 123, 102
  • 4, 6, 15, 17, 35, 37, 76, 63, 127, 103
  • 4, 7, 15, 16, 37, 34, 70, 71, 137, 101
  • 4, 7, 17, 14, 30, 32, 70, 71, 133, 99
  • 4, 8, 18, 16, 37, 36, 74, 75, 140, 99
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