Geometry

Info

ID:

4988

ICSD:

94428

Name:

Barium bis(thiocyanate)

Comp.:

C2Ba1N2S2

Symm.:

C12/c1(15)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

3.946/3.896 eV

me/mh:

23.750/171.938

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