Structure 7045201

7045172 << 7045201 >> 7045202
Original COD entry Download CIF Download DOT

Citation: Wang, Xiaoxiao; Jiang, Xingxing; Liu, Hongming; Yang, Lei; Lin, Zheshuai; Hu, Zhanggui; Meng, Xianggao; Chen, Xingguo; Qin, Jingui (2018). Pb3(SeO3)Br4: a new nonlinear optical material with enhanced SHG response designed via an ion-substitution strategy.. Dalton transactions (Cambridge, England : 2003), 47, pp. 1911-1917.

Formula: Br4 O3 Pb3 Se

Chemical name: Pb3SeO3Br4

Cell parameters:

  • a = 7.7290(15) Å
  • b = 8.4703(17) Å
  • c = 16.521(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1D

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: (0;1;0)

Dimensionality: 1

Formula: Br6 O6 Pb6 Se2 (Br3 O3 Pb3 Se)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 3, 4, 4, 7, 4, 5
  • 2, 3, 6, 3, 5, 4, 5, 4, 7, 4
  • 2, 4, 4, 6, 3, 5, 4, 5, 4, 7
  • 2, 5, 4, 4, 3, 6, 4, 5, 4, 7
  • 2, 5, 5, 6, 4, 7, 4, 5, 4, 7
  • 2, 5, 5, 7, 4, 5, 4, 7, 4, 5
  • 3, 3, 5, 3, 4, 4, 7, 4, 5, 4
  • 3, 4, 7, 4, 5, 4, 7, 4, 5, 4
  • 3, 5, 2, 4, 4, 5, 4, 7, 4, 5
  • 4, 4, 5, 4, 7, 4, 5, 4, 7, 4
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CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: Br6 O6 Pb6 Se2 (Br3 O3 Pb3 Se)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 3, 4, 4, 7, 4, 5
  • 2, 3, 6, 3, 5, 4, 5, 4, 7, 4
  • 2, 4, 4, 6, 3, 5, 4, 5, 4, 7
  • 2, 5, 4, 4, 3, 6, 4, 5, 4, 7
  • 2, 5, 5, 6, 4, 7, 4, 5, 4, 7
  • 2, 5, 5, 7, 4, 5, 4, 7, 4, 5
  • 3, 3, 5, 3, 4, 4, 7, 4, 5, 4
  • 3, 4, 7, 4, 5, 4, 7, 4, 5, 4
  • 3, 5, 2, 4, 4, 5, 4, 7, 4, 5
  • 4, 4, 5, 4, 7, 4, 5, 4, 7, 4
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