Structure 7017667

7017665 << 7017667 >> 7017668
Original COD entry Download CIF Download DOT

Citation: Li, Yanjun; Wang, Meng; Zhu, Tianxiang; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui (2012). Synthesis, crystal structure and properties of a new candidate for nonlinear optical material in the IR region: Hg2BrI3.. Dalton transactions (Cambridge, England : 2003), 41, pp. 763-766.

Formula: Br Hg2 I3

Cell parameters:

  • a = 4.698(1) Å
  • b = 7.2246(6) Å
  • c = 13.520(1) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: Br2 Hg2 I4 (Br Hg I2)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 15, 18, 30, 27, 45, 36, 60, 45
  • 3, 15, 12, 30, 21, 45, 30, 60, 39, 75
  • 4, 14, 13, 29, 22, 44, 31, 59, 40, 74
  • 7, 8, 22, 17, 37, 26, 52, 35, 67, 44
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Br2 Hg2 I4 (Br Hg I2)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 15, 18, 30, 27, 45, 36, 60, 45
  • 3, 15, 12, 30, 21, 45, 30, 60, 39, 75
  • 4, 14, 13, 29, 22, 44, 31, 59, 40, 74
  • 7, 8, 22, 17, 37, 26, 52, 35, 67, 44
span 1 {1 1 1}