Geometry

Info

ID:

8614

ICSD:

29132

Name:

Iron(III) fluoride

Comp.:

F3Fe1

Symm.:

 P321(150)

Latt.:

 hexagonal

Spin:

 14.766

Eg/Eg':

6.791/6.359 eV

me/mh:

2.306/-84.641

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands