Geometry

Info

ID:

7160

ICSD:

59123

Name:

Chromium oxide trifluoride

Comp.:

Cr1F3O1

Symm.:

 P41(76)

Latt.:

 tetragonal

Spin:

 4.123

Eg/Eg':

2.272/2.239 eV

me/mh:

292.692/-230.952

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