Geometry

Info

ID:

2935

ICSD:

77509

Name:

Barium dimercury dioxide dichloride

Comp.:

Ba1Cl2Hg2O2

Symm.:

 P4/mbm(127)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

1.688/1.607 eV

me/mh:

55.481/-16.545

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands