Geometry

Info

ID:

6602

ICSD:

408775

Name:

Thallium tri-mue-chloro-bis(dichlorooxomolybdate(V))

Comp.:

Cl7Mo2O2Tl1

Symm.:

PmmnZ(59)

Latt.:

orthorhombic

Spin:

3.845

Eg/Eg':

2.493/2.462 eV

me/mh:

-546.863/59.083

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