Structure 7015593

7015592 << 7015593 >> 7015599
Original COD entry Download CIF Download DOT

Citation: Mei, Dajiang; Yin, Wenlong; Bai, Lei; Lin, Zheshuai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng (2011). BaAl4Se7: a new infrared nonlinear optical material with a large band gap.. Dalton transactions (Cambridge, England : 2003), 40, pp. 3610-3615.

Formula: Al4 Ba Se7

Cell parameters:

  • a = 7.5563(15) Å
  • b = 6.4524(13) Å
  • c = 14.574(4) Å
  • α = 90.00°
  • β = 121.23(2)°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Al8 Se14 (Al4 Se7)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 15, 19, 48, 47, 95, 74, 160
  • 2, 6, 7, 18, 22, 51, 45, 100, 80, 162
  • 2, 6, 8, 19, 20, 52, 50, 100, 78, 168
  • 3, 9, 8, 20, 25, 58, 50, 106, 86, 179
  • 3, 9, 11, 25, 25, 62, 58, 119, 83, 171
  • 4, 5, 12, 13, 36, 41, 82, 59, 134, 113
  • 4, 5, 13, 15, 37, 39, 87, 69, 139, 107
  • 4, 6, 15, 16, 40, 40, 88, 69, 143, 110
span 1 {1 1 1}