Geometry

Info

ID:

4564

ICSD:

39528

Name:

Iron(III) selenium bromide

Comp.:

Br7Fe1Se1

Symm.:

 P11b(7)

Latt.:

 monoclinic

Spin:

 9.020

Eg/Eg':

1.695/1.634 eV

me/mh:

94.834/None

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands