Geometry

Info

ID:

4985

ICSD:

157982

Name:

Barium calcium carbonate

Comp.:

C2Ba1Ca1O6

Symm.:

 P1211(4)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

4.716/4.605 eV

me/mh:

16.574/-39.443

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