Structure 1552754

1552746 << 1552754 >> 1552760
Original COD entry Download CIF Download DOT

Citation: Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie (2020). CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability. Chemical Science, 11, pp. 694-698.

Formula: Al B3 Cs F O6

Cell parameters:

  • a = 8.064(3) Å
  • b = 11.970(4) Å
  • c = 7.036(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 2D

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 2

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

Dimensionality: 2

Formula: Al2 B6 F2 O12 (Al B3 F O6)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 9, 6, 18, 12, 21
  • 2, 4, 3, 7, 5, 11, 10, 16, 11, 24
  • 2, 5, 4, 7, 6, 12, 8, 20, 14, 21
  • 3, 3, 6, 4, 10, 8, 14, 12, 22, 11
  • 4, 3, 6, 6, 9, 6, 18, 12, 21, 15
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Al2 B6 F2 O12 (Al B3 F O6)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 9, 6, 18, 12, 21
  • 2, 4, 3, 7, 5, 11, 10, 16, 11, 24
  • 2, 5, 4, 7, 6, 12, 8, 20, 14, 21
  • 3, 3, 6, 4, 10, 8, 14, 12, 22, 11
  • 4, 3, 6, 6, 9, 6, 18, 12, 21, 15
span 1 {1 1 1}