Geometry

Info

ID:

6221

ICSD:

60585

Name:

Yttrium oxychloride

Comp.:

Cl1O1Y1

Symm.:

R-3mH(166)

Latt.:

rhombohedral

Spin:

0.000

Eg/Eg':

4.689/4.272 eV

me/mh:

19.871/-8.360

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands