Geometry

Info

ID:

5343

ICSD:

49529

Name:

Calcium titanium(III) fluoride

Comp.:

Ca1F5Ti1

Symm.:

I12/c1(15)

Latt.:

monoclinic

Spin:

3.685

Eg/Eg':

0.247/0.236 eV

me/mh:

353.092/-360.971

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