Geometry

Info

ID:

8626

ICSD:

411036

Name:

Iodine(III) fluoride

Comp.:

F3I1

Symm.:

 Pcmn(62)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.106/2.038 eV

me/mh:

29.362/53.372

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