Geometry

Info

ID:

3876

ICSD:

421317

Name:

Thallium(I) hexachlorobismutate(III)

Comp.:

Bi1Cl6Tl3

Symm.:

 P42/m(84)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

3.005/2.841 eV

me/mh:

11.180/60.676

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