Geometry

Info

ID:

3015

ICSD:

72740

Name:

Barium oxotetrafluorotitanate

Comp.:

Ba1F4O1Ti1

Symm.:

Pbcm(57)

Latt.:

orthorhombic

Spin:

0.000

Eg/Eg':

3.346/3.341 eV

me/mh:

42.950/-22.737

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands