Geometry

Info

ID:

6079

ICSD:

47102

Name:

mue-dithiazyl-bis(tetrachlorothiazylmolybdate)

Comp.:

Cl10Mo2N4S4

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

0.642/0.595 eV

me/mh:

349.823/167.867

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