Geometry

Info

ID:

8620

ICSD:

424958

Name:

Disodium iron(III) trifluoride sulfate(VI)

Comp.:

F3Fe1Na2O4S1

Symm.:

P121/m1(11)

Latt.:

monoclinic

Spin:

9.797

Eg/Eg':

5.159/None eV

me/mh:

-53.750/197.519

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands