Geometry

Info

ID:

3007

ICSD:

88824

Name:

Barium diiron diphosphate(V) difluoride

Comp.:

Ba1F2Fe2O7P2

Symm.:

PmmnZ(59)

Latt.:

orthorhombic

Spin:

15.556

Eg/Eg':

4.379/4.258 eV

me/mh:

5.816/-48.431

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