Geometry

Info

ID:

6107

ICSD:

28318

Name:

Chromium oxide chloride

Comp.:

Cl1Cr1O1

Symm.:

 PmmnZ(59)

Latt.:

 orthorhombic

Spin:

 5.798

Eg/Eg':

2.135/2.002 eV

me/mh:

5.464/-5.395

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands