Geometry

Info

ID:

6262

ICSD:

416750

Name:

Chromium(VI) dioxide dichloride

Comp.:

Cl2Cr1O2

Symm.:

P1211(4)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

2.453/2.372 eV

me/mh:

67.170/-119.362

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands