Geometry

Info

ID:

3050

ICSD:

2530

Name:

Barium tetrairon(III) oxide

Comp.:

Ba1Fe4O7

Symm.:

 P63/m(176)

Latt.:

 hexagonal

Spin:

 15.414

Eg/Eg':

0.185/0.063 eV

me/mh:

13.531/-29.081

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands