Geometry

Info

ID:

4080

ICSD:

92405

Name:

Dibismuth yttrium tetraoxide chloride

Comp.:

Bi2Cl1O4Y1

Symm.:

 P4/mmm(123)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.323/2.198 eV

me/mh:

5.246/12.441

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