Geometry

Info

ID:

5524

ICSD:

243318

Name:

Calcium sulfate(VI)

Comp.:

Ca1O4S1

Symm.:

 Bmmb(63)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

5.939/None eV

me/mh:

6.836/-81.561

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: 0.5 0.5 0.5 Y: 0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands