Geometry

Info

ID:

3465

ICSD:

249689

Name:

Dibarium difluoride diron(II) oxide disulfide

Comp.:

Ba2F2Fe2O1S2

Symm.:

I4/mmm(139)

Latt.:

tetragonal

Spin:

15.439

Eg/Eg':

3.050/2.831 eV

me/mh:

5.271/-41.324

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands