Geometry

Info

ID:

669

ICSD:

78012

Name:

Iron aluminium fluoride

Comp.:

Al1F5Fe1

Symm.:

Immm(71)

Latt.:

orthorhombic

Spin:

7.812

Eg/Eg':

5.776/5.657 eV

me/mh:

5.829/-49.276

K-data

high symmetry path:

R - G - X - S - W - T

high symmetry points:

G: 0.0 0.0 0.0 S: 0.5 0.0 -0.5 R: 0.5 0.0 0.0 T: 0.5 -0.5 0.0 W: 0.75 -0.25 -0.25 X: 0.5 0.5 -0.5

DOS

Bands