Structure 7210786

7210785 << 7210786 >> 7210789
Original COD entry Download CIF Download DOT

Citation: Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui (2013). Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region. CrystEngComm, 15, pp. 4196-.

Formula: Br3 Hg2 I

Cell parameters:

  • a = 4.6628(17) Å
  • b = 7.013(3) Å
  • c = 13.081(5) 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: Br4 Hg2 I4 (Br2 Hg I2)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 17, 25, 32, 40, 47, 55, 62, 70
  • 4, 17, 16, 35, 28, 53, 40, 71, 52, 89
  • 8, 10, 26, 22, 44, 34, 62, 46, 80, 58
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Br4 Hg2 I4 (Br2 Hg I2)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 17, 25, 32, 40, 47, 55, 62, 70
  • 4, 17, 16, 35, 28, 53, 40, 71, 52, 89
  • 8, 10, 26, 22, 44, 34, 62, 46, 80, 58
span 1 {1 1 1}