Geometry

Info

ID:

9303

ICSD:

17062

Name:

Diiron diphosphate(V)

Comp.:

Fe2O7P2

Symm.:

 P1(1)

Latt.:

 triclinic

Spin:

 7.764

Eg/Eg':

4.576/4.059 eV

me/mh:

199.020/-45.539

K-data

high symmetry path:

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

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands