Geometry

Info

ID:

2901

ICSD:

161791

Name:

Calcium barium diferrate(II)diferrate(III)

Comp.:

Ba1Ca1Fe4O7

Symm.:

P31c(159)

Latt.:

hexagonal

Spin:

34.826

Eg/Eg':

2.349/None eV

me/mh:

2.089/-12.338

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