Geometry

Info

ID:

6228

ICSD:

416751

Name:

Rhenium(VII) trioxide chloride

Comp.:

Cl1O3Re1

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

3.619/3.538 eV

me/mh:

-103.187/-73.906

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