PYRRHOTITE [3], 4C

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.3809
0.3500
-0.0063
0.9400
Fe
2
0.3816
0.3660
0.1234
0.8900
Fe
3
0.3587
0.3975
0.2501
0.7500
Fe
4
0.3750
0.3528
0.3750
1.4100
Fe
5
0.2061
0.3660
-0.0618
0.7800
(S)
6
0.5418
0.3833
0.0598
0.6100
(S)
7
0.2096
0.3858
0.1805
0.5000
(S)
8
0.5428
0.3645
0.3087
0.6500
(S)