Geometry

Info

ID:

3031

ICSD:

33789

Name:

Barium hexafluorotitanate

Comp.:

Ba1F6Ti1

Symm.:

R-3mH(166)

Latt.:

rhombohedral

Spin:

0.000

Eg/Eg':

4.372/4.301 eV

me/mh:

156.052/47.667

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands