Geometry

Info

ID:

8782

ICSD:

202705

Name:

Lithium iron(II) iron(III) fluoride

Comp.:

F6Fe2Li1

Symm.:

 P42nm(102)

Latt.:

 tetragonal

Spin:

 17.640

Eg/Eg':

5.472/5.361 eV

me/mh:

6.487/-62.756

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands