Geometry

Info

ID:

7171

ICSD:

418676

Name:

Dilithium hexafluorochromate(IV)

Comp.:

Cr1F6Li2

Symm.:

 P42/mnm(136)

Latt.:

 tetragonal

Spin:

 3.948

Eg/Eg':

1.680/1.658 eV

me/mh:

84.655/-34.223

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