Structure 7049873

7049855 << 7049873 >> 7049884

Citation: Huang, Chunmei; Han, Guopeng; Li, Hao; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie (2019). A new barium fluorooxoborate BaB₅O₈F·xH₂O with large birefringence and a wide UV transparency window.. Dalton transactions (Cambridge, England : 2003), 48, pp. 6714-6717.

Formula: B5 Ba F H0.33 O8.17

Cell parameters:

a = 11.399(3) Å
b = 9.429(3) Å
c = 13.467(4) Å

α = 90°
β = 90°
γ = 90°

List type: interleaving

List: 3D

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 3

Formula: B20 F4 O32 (B5 F O8)

Multiplicity: 1

Coordination sequences:

1, 3, 3, 6, 5, 9, 7, 15, 11, 25
2, 4, 3, 7, 6, 13, 8, 14, 12, 26
2, 4, 4, 9, 6, 12, 8, 17, 14, 28
2, 5, 3, 6, 6, 11, 8, 18, 12, 26
2, 5, 4, 7, 5, 11, 9, 20, 13, 24
2, 5, 4, 7, 5, 12, 9, 17, 13, 27
2, 5, 4, 8, 5, 10, 9, 18, 13, 27
2, 5, 4, 8, 6, 11, 8, 18, 14, 29
2, 6, 4, 6, 5, 11, 9, 19, 13, 26
3, 3, 6, 5, 12, 7, 13, 11, 22, 17
3, 3, 7, 5, 9, 7, 16, 11, 23, 17
3, 3, 7, 5, 10, 7, 14, 11, 22, 17
4, 3, 6, 5, 9, 7, 15, 11, 25, 17
4, 4, 7, 4, 9, 8, 17, 12, 23, 16

span 1 {1 1 1}

highlight edges

CIF datablock 1, entity 2 of 2