Geometry

Info

ID:

6540

ICSD:

402406

Name:

Tantalum(IV) chloride

Comp.:

Cl4Ta1

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

1.198/1.192 eV

me/mh:

51.986/-222.579

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands