Geometry

Info

ID:

3038

ICSD:

428170

Name:

Barium iron(II) sulfide oxide (1/2/2/1)

Comp.:

Ba1Fe2O1S2

Symm.:

 PmmnS(59)

Latt.:

 orthorhombic

Spin:

 15.208

Eg/Eg':

2.404/None eV

me/mh:

2.110/-2.572

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

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

DOS

Bands