Pyrite Crystallography

Composition

FeS2

Classification

Sulfide

Structural parameters

a=5.417, b=5.417, c=5.417 Å
alpha=90, beta=90, gamma=90°
Space Group: P1

atom

x/a

y/b

z/c
Fe1 0.00100 0.0020 0.0030
Fe2 0.49660 0.0001 0.5036
Fe3 0.50010 0.5020 0.0011
Fe4 0-.0006 0.5013 0.5038
S1 0.38570 0.3832 0.3840
S2 0.11490 0.6114 0.8846
S3 0.88540 0.1157 0.6143
S4 0.61530 0.8865 .10141
S5 0.61510 0.6132 0.6137
S6 0.88540 0.3818 0.1149
S7 0.80856 0.8856 0.3841
S8 0.38570 0.1161 0.8842

Reference

Bayliss, P. 1977. Crystal structure refinement of a weakly anisotropic pyrite. American Mineralogist 62:1168-1172


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Original release: 1 Oct 1998;