Geometry

Info

ID:

2564

ICSD:

99460

Name:

Tribarium trititanium hexaoxide bis(borate)

Comp.:

B2Ba3O12Ti3

Symm.:

P-62m(189)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

2.372/2.113 eV

me/mh:

11.077/-50.452

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