Geometry

Info

ID:

3010

ICSD:

82765

Name:

Barium tetrafluoroferrate(II)

Comp.:

Ba1F4Fe1

Symm.:

 Cmc21(36)

Latt.:

 orthorhombic

Spin:

 15.625

Eg/Eg':

4.733/4.446 eV

me/mh:

-39.561/27.903

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands