Geometry

Info

ID:

4503

ICSD:

402064

Name:

Thallium tetrabromoferrate(III)

Comp.:

Br4Fe1Tl1

Symm.:

Pnna(52)

Latt.:

orthorhombic

Spin:

18.037

Eg/Eg':

4.136/4.051 eV

me/mh:

56.756/-96.988

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