Geometry

Info

ID:

4453

ICSD:

36217

Name:

Thallium iron bromide - beta

Comp.:

Br3Fe1Tl1

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 15.041

Eg/Eg':

2.553/2.270 eV

me/mh:

5.672/-41.454

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

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

DOS

Bands