Geometry

Info

ID:

2384

ICSD:

414492

Name:

Boron trifluoride fluorothiazyne

Comp.:

B1F7N2O1S2

Symm.:

P121/m1(11)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

5.018/4.997 eV

me/mh:

468.417/-469.907

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