Geometry

Info

ID:

2398

ICSD:

25101

Name:

Diiron iron(III) borate dioxide

Comp.:

B1Fe3O5

Symm.:

P12/m1(10)

Latt.:

monoclinic

Spin:

25.331

Eg/Eg':

3.142/None eV

me/mh:

3.304/-15.429

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