Geometry

Info

ID:

6086

ICSD:

411053

Name:

Trichlorosulfur nonachlorodirhenate(IV)

Comp.:

Cl12Re2S1

Symm.:

P121/m1(11)

Latt.:

monoclinic

Spin:

6.806

Eg/Eg':

0.959/0.900 eV

me/mh:

34.999/-102.325

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