Geometry

Info

ID:

2874

ICSD:

252888

Name:

Barium bismuth dioxide bromide

Comp.:

Ba1Bi1Br1O2

Symm.:

 Cmcm(63)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

3.185/3.113 eV

me/mh:

8.507/32.485

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands