Pyrite
Bayliss P
American Mineralogist 62 (1977) 1168-1172
Crystal structure refinement of a weakly anisotropic pyrite
_database_code_amcsd 0000606
CELL PARAMETERS: 5.4166 5.4166 5.4166 90.000 90.000 90.000
SPACE GROUP: P1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 158.921
Density (g/cm3): 5.014
MAX. ABS. INTENSITY / VOLUME**2: 47.24520926
RIR: 3.068
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
28.54 9.79 3.1273 1 -1 1 1
28.54 9.86 3.1273 -1 1 1 1
28.54 9.81 3.1273 -1 -1 1 1
28.54 9.82 3.1273 1 1 1 1
33.08 31.98 2.7083 2 0 0 1
33.08 31.75 2.7083 0 0 2 1
33.08 31.82 2.7083 0 2 0 1
37.11 9.09 2.4224 1 0 2 1
37.11 9.13 2.4224 -1 0 2 1
37.11 9.12 2.4224 2 1 0 1
37.11 9.13 2.4224 -2 1 0 1
37.11 9.11 2.4224 0 -2 1 1
37.11 9.17 2.4224 0 2 1 1
40.81 3.82 2.2113 1 -1 2 1
40.81 3.80 2.2113 1 1 2 1
40.81 3.75 2.2113 1 2 1 1
40.81 3.77 2.2113 -1 1 2 1
40.81 3.80 2.2113 2 1 1 1
40.81 3.78 2.2113 1 -2 1 1
40.81 3.78 2.2113 -1 -2 1 1
40.81 3.81 2.2113 -1 -1 2 1
40.81 3.79 2.2113 -2 -1 1 1
40.81 3.78 2.2113 2 -1 1 1
40.81 3.77 2.2113 -1 2 1 1
40.81 3.80 2.2113 -2 1 1 1
47.48 8.51 1.9151 2 0 2 1
47.48 8.52 1.9151 2 2 0 1
47.48 8.51 1.9151 -2 0 2 1
47.48 8.51 1.9151 0 -2 2 1
47.48 8.51 1.9151 -2 2 0 1
47.48 8.50 1.9151 0 2 2 1
56.33 8.36 1.6332 1 -3 1 1
56.33 8.35 1.6332 -1 -3 1 1
56.33 8.35 1.6332 1 -1 3 1
56.33 8.31 1.6332 -3 -1 1 1
56.33 8.36 1.6332 1 1 3 1
56.33 8.33 1.6332 -1 -1 3 1
56.33 8.33 1.6332 1 3 1 1
56.33 8.34 1.6332 -1 1 3 1
56.33 8.35 1.6332 -1 3 1 1
56.33 8.31 1.6332 -3 1 1 1
56.33 8.31 1.6332 3 -1 1 1
56.33 8.31 1.6332 3 1 1 1
59.08 3.97 1.5636 2 -2 2 1
59.08 3.96 1.5636 2 2 2 1
59.08 3.97 1.5636 -2 2 2 1
59.08 3.97 1.5636 -2 -2 2 1
61.75 2.67 1.5023 0 2 3 1
61.75 2.67 1.5023 -3 0 2 1
61.75 2.67 1.5023 2 3 0 1
61.75 2.70 1.5023 3 0 2 1
61.75 2.67 1.5023 0 -2 3 1
61.75 2.67 1.5023 -2 3 0 1
64.35 1.32 1.4476 -1 -3 2 1
64.35 1.33 1.4476 1 3 2 1
64.35 1.31 1.4476 2 -1 3 1
64.35 1.32 1.4476 -2 -1 3 1
64.35 1.32 1.4476 2 1 3 1
64.35 1.33 1.4476 3 -2 1 1
64.35 1.32 1.4476 3 2 1 1
64.35 1.32 1.4476 -3 2 1 1
64.35 1.32 1.4476 -2 1 3 1
64.35 1.33 1.4476 -3 -2 1 1
64.35 1.33 1.4476 1 -3 2 1
64.35 1.31 1.4476 -1 3 2 1
79.06 1.10 1.2112 0 -4 2 1
79.06 1.10 1.2112 2 0 4 1
79.06 1.10 1.2112 4 2 0 1
79.06 1.10 1.2112 -4 0 2 1
79.06 1.10 1.2112 0 -2 4 1
79.06 1.09 1.2112 -2 4 0 1
79.06 1.11 1.2112 0 4 2 1
79.06 1.09 1.2112 -2 0 4 1
79.06 1.10 1.2112 2 4 0 1
79.06 1.10 1.2112 -4 2 0 1
79.06 1.10 1.2112 0 2 4 1
79.06 1.10 1.2112 4 0 2 1
88.41 1.04 1.1057 2 -2 4 1
88.41 1.05 1.1057 2 4 2 1
88.41 1.05 1.1057 -2 2 4 1
88.41 1.04 1.1057 2 2 4 1
88.41 1.05 1.1057 4 2 2 1
88.41 1.05 1.1057 -2 -2 4 1
88.41 1.05 1.1057 2 -4 2 1
88.41 1.05 1.1057 -4 -2 2 1
88.41 1.05 1.1057 4 -2 2 1
88.41 1.05 1.1057 -4 2 2 1
88.41 1.04 1.1057 -2 4 2 1
88.41 1.04 1.1057 -2 -4 2 1
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.