Structure Type 013: CuFeS2 (chalcopyrite)
(S yellow, Fe brown, Cu blue)
Spacegroup Symbol: |
I -4 2 d |
Origin Offset: |
(none) |
Lattice Type: |
I |
Unit Cell Parameters |
|||||
a [A] |
b [A] |
c [A] |
alpha [deg] |
beta [deg] |
gamma [deg] |
5.2400 |
5.2400 |
10.3000 |
90.000 |
90.000 |
90.000 |
Fractional Coordinates of Atoms in the Asymmetric Unit |
||||
Site Label |
Element |
x |
y |
z |
Cu |
Cu |
0.0000 |
0.0000 |
0.0000 |
Fe |
Fe |
0.0000 |
0.0000 |
0.5000 |
S |
S |
0.2500 |
0.2500 |
0.1250 |
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