Geometry

Info

ID:

4657

ICSD:

95740

Name:

Barium manganese carbonate difluoride

Comp.:

C1Ba1F2Mn1O3

Symm.:

P63/m(176)

Latt.:

hexagonal

Spin:

9.556

Eg/Eg':

4.228/4.099 eV

me/mh:

6.318/-23.718

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands