Geometry

Info

ID:

3474

ICSD:

281028

Name:

Dibarium iron(IV) oxide

Comp.:

Ba2Fe1O4

Symm.:

 P121/n1(14)

Latt.:

 monoclinic

Spin:

 15.403

Eg/Eg':

0.410/None eV

me/mh:

-70.647/24.753

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands