Geometry

Info

ID:

5019

ICSD:

401546

Name:

Bis(trichloromethyl) heptasulfide

Comp.:

C2Cl6S7

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.000

Eg/Eg':

2.916/2.873 eV

me/mh:

-7163.724/-221.414

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