Structure 1560198

1560196 << 1560198 >> 1560239
Original COD entry Download CIF Download DOT

Citation: Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin (2021). To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units. Chemical Science, 12, pp. 4014-4020.

Formula: As B F H4 N O4

Cell parameters:

  • a = 4.4453(6) Å
  • b = 8.1098(10) Å
  • c = 12.7463(18) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

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 2

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

Dimensionality: 2

Formula: As2 B2 F2 O8 (As B F O4)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 9, 6, 18, 9, 24, 12, 33
  • 2, 6, 4, 12, 8, 22, 10, 28, 14, 36
  • 4, 3, 9, 6, 18, 9, 24, 12, 33, 15
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: As2 B2 F2 O8 (As B F O4)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 9, 6, 18, 9, 24, 12, 33
  • 2, 6, 4, 12, 8, 22, 10, 28, 14, 36
  • 4, 3, 9, 6, 18, 9, 24, 12, 33, 15
span 1 {1 1 1}