Chalcopyrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern R050208 Hall S R, Stewart J M Acta Crystallographica B29 (1973) 579-585 The crystal structure refinement of chalcopyrite, CuFeS2 CELL PARAMETERS: 5.289235 5.289235 10.42022 90.00000 90.00000 90.00000 SPACE GROUP: I-42d X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 29.40 100.00 3.0383 1 1 2 33.89 6.06 2.6446 2 0 0 34.42 2.90 2.6051 0 0 4 48.68 18.35 1.8700 2 2 0 49.07 35.74 1.8559 2 0 4 57.88 21.80 1.5926 3 1 2 58.58 10.45 1.5752 1 1 6 60.96 1.73 1.5191 2 2 4 71.28 4.53 1.3223 4 0 0 72.54 2.14 1.3025 0 0 8 78.91 3.45 1.2125 3 3 2 79.52 6.73 1.2047 3 1 6 79.52 6.73 1.2047 3 1 6 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.