Geometry

Info

ID:

6517

ICSD:

200832

Name:

Molybdenum(VI) oxide tetrachloride

Comp.:

Cl4Mo1O1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

1.826/1.801 eV

me/mh:

-2362.657/-137.782

K-data

high symmetry path:

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

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands