Geometry

Info

ID:

6546

ICSD:

47103

Name:

Chlorine-cyclo-dithiazyl tetrachloroferrate(III)

Comp.:

Cl5Fe1N4S4

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

9.115

Eg/Eg':

1.181/1.147 eV

me/mh:

75.198/-94.702

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