Structure 7235016

7235014 << 7235016 >> 7235019
Original COD entry Download CIF Download DOT

Citation: Chao Wu; Junling Song; Longhua Li; Mark G. Humphrey; Chi Zhang (2016). Alkali metal-alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material. Journal of Materials Chemistry C, 4, pp. 8189-8196.

Formula: B10 Ba3 H5 Li O21

Cell parameters:

  • a = 10.1984(3) Å
  • b = 10.1984(3) Å
  • c = 8.7126(4) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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: B18 O32 (B9 O16)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 4, 9, 9, 19, 13, 28, 21, 44
  • 2, 5, 5, 11, 9, 20, 13, 25, 22, 52
  • 2, 5, 5, 12, 8, 14, 12, 29, 23, 49
  • 2, 6, 5, 10, 7, 14, 12, 28, 23, 48
  • 2, 6, 6, 11, 7, 16, 14, 31, 25, 53
  • 3, 3, 8, 7, 15, 11, 22, 16, 36, 31
  • 3, 9, 6, 9, 6, 15, 15, 33, 27, 60
  • 4, 4, 8, 7, 16, 11, 23, 19, 41, 32
  • 4, 5, 11, 6, 11, 10, 24, 21, 46, 33
span 1 {1 1 1}