Structure 7039291

7039273 << 7039291 >> 7039297
Original COD entry Download CIF Download DOT

Citation: Guo, Sheng-Ping; Chi, Yang; Liu, Bin-Wen; Guo, Guo-Cong (2016). Synthesis, crystal structure and second-order nonlinear optical property of a novel pentanary selenide (K3I)[InB12(InSe4)3].. Dalton transactions (Cambridge, England : 2003), 45, pp. 10459-10465.

Formula: B12 I In4 K3 Se12

Chemical name: ?

Cell parameters:

  • a = 13.896(5) Å
  • b = 13.896(5) Å
  • c = 9.687(6) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: B24 In8 Se24 (B3 In Se3)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 13, 24, 32, 50, 69, 100, 118, 158
  • 3, 13, 18, 37, 37, 67, 74, 135, 131, 228
  • 4, 6, 22, 32, 46, 48, 90, 112, 156, 166
  • 6, 11, 13, 18, 33, 67, 70, 87, 108, 176
  • 6, 12, 14, 19, 40, 55, 86, 85, 130, 173
  • 6, 12, 30, 30, 60, 62, 108, 114, 204, 186
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: I6 K6 (I K)

Multiplicity: 1

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