Geometry

Info

ID:

6151

ICSD:

93508

Name:

Distrontium iron(III) trioxide chloride

Comp.:

Cl1Fe1O3Sr2

Symm.:

 P4/nmmZ(129)

Latt.:

 tetragonal

Spin:

 9.668

Eg/Eg':

4.263/2.829 eV

me/mh:

1.586/-2.768

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands