Geometry

Info

ID:

9279

ICSD:

83648

Name:

Lead diiron(III) bis(diphosphate(V))

Comp.:

Fe2O14P4Pb1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

9.736

Eg/Eg':

3.958/3.819 eV

me/mh:

18.347/208.757

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