Geometry

Info

ID:

3697

ICSD:

410679

Name:

Heptabarium dodecafluoride dichloride

Comp.:

Ba7Cl2F12

Symm.:

P-6(174)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

6.052/None eV

me/mh:

7.727/-57.896

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands