Geometry

Info

ID:

8678

ICSD:

415421

Name:

Rhenium(VII) trifluoride dioxide - I

Comp.:

F3O2Re1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

3.473/3.466 eV

me/mh:

-612.961/-3812.104

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