Geometry

Info

ID:

3466

ICSD:

249687

Name:

Dibarium difluoride diron(II) oxide diselenide

Comp.:

Ba2F2Fe2O1Se2

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 15.415

Eg/Eg':

2.781/2.676 eV

me/mh:

5.457/-125.403

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands