Geometry

Info

ID:

3853

ICSD:

84635

Name:

Calcium bismuth dioxide chloride

Comp.:

Bi1Ca1Cl1O2

Symm.:

P121/m1(11)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

3.754/3.711 eV

me/mh:

10.102/-13.411

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