Geometry

Info

ID:

3003

ICSD:

1128

Name:

Barium fluoride iodide

Comp.:

Ba1F1I1

Symm.:

 P4/nmmZ(129)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

4.038/None eV

me/mh:

7.279/-44.411

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands