Geometry

Info

ID:

4212

ICSD:

59601

Name:

Tetrabismuth tantalum octaoxide chloride

Comp.:

Bi4Cl1O8Ta1

Symm.:

P4/mmm(123)

Latt.:

tetragonal

Spin:

0.000

Eg/Eg':

1.433/0.910 eV

me/mh:

1.739/-16.099

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands