Geometry

Info

ID:

5141

ICSD:

413426

Name:

Trichlorodithiolylium tetrachlorooxomolybdate(V)

Comp.:

C3Cl7Mo1O1S2

Symm.:

P1c1(7)

Latt.:

monoclinic

Spin:

1.902

Eg/Eg':

1.885/1.878 eV

me/mh:

101.585/-445.040

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