Geometry

Info

ID:

12051

ICSD:

156435

Name:

Hemimagnesium oxotitanium phosphate(V)

Comp.:

Mg0.5O5P1Ti1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

3.263/3.207 eV

me/mh:

88.814/146.378

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