Structure 7127638

7127633 << 7127638 >> 7127642
Original COD entry Download CIF Download DOT

Citation: Li, Jia-Nuo; Yao, Wen-Dong; Li, Xiao-Hui; Liu, Wenlong; Xue, Huai-Guo; Guo, Sheng-Ping (2021). A novel promising infrared nonlinear optical selenide KAg3Ga8Se14 designed from benchmark AgGaQ2 (Q = S, Se).. Chemical communications (Cambridge, England), 57, pp. 1109-1112.

Formula: Ag3 Ga8 K Se14

Cell parameters:

  • a = 12.8805(5) Å
  • b = 11.6857(4) Å
  • c = 9.6600(4) Å
  • α = 90°
  • β = 115.9980(10)°
  • γ = 90°

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: Ag6 Ga16 Se28 (Ag3 Ga8 Se14)

Multiplicity: 1

Coordination sequences:

  • 3, 9, 13, 27, 41, 76, 80, 124, 129, 212
  • 3, 9, 15, 31, 40, 73, 84, 135, 141, 220
  • 3, 9, 15, 31, 41, 72, 81, 133, 138, 217
  • 3, 9, 15, 31, 41, 72, 84, 138, 138, 214
  • 3, 9, 16, 32, 40, 73, 83, 135, 138, 214
  • 3, 9, 16, 32, 42, 75, 81, 136, 142, 216
  • 3, 9, 16, 33, 42, 73, 83, 138, 141, 220
  • 4, 8, 18, 28, 54, 61, 101, 108, 175, 178
  • 4, 8, 19, 29, 53, 61, 105, 116, 183, 177
  • 4, 9, 20, 26, 54, 67, 106, 109, 171, 174
  • 4, 9, 20, 27, 51, 62, 106, 114, 175, 173
  • 4, 9, 20, 27, 51, 63, 108, 114, 178, 174
  • 4, 9, 21, 28, 52, 65, 108, 108, 175, 183
  • 4, 10, 21, 26, 50, 64, 111, 113, 173, 173
  • 4, 12, 16, 31, 41, 77, 89, 141, 136, 208
  • 4, 12, 17, 33, 42, 76, 87, 145, 141, 212
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