Geometry

Info

ID:

6311

ICSD:

407768

Name:

Dichlorine oxide

Comp.:

Cl2O1

Symm.:

 I41/amdZ(141)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.078/1.068 eV

me/mh:

-72.558/-333.413

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands