{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Marcasite\par Diffraction data computed using the structure from the paper listed below,\par along with the cell parameters refined from the powder pattern of R060882\par Buerger M J\par American Mineralogist 16 (1931) 361-395\par The crystal structure of marcasite\par \par CELL PARAMETERS: 3.3700 4.4400 5.3900 90.000 90.000 90.000\par SPACE GROUP: Pmnn \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Fe 0.00000 0.00000 0.00000 1.000 0.700\par S 0.00000 0.20300 0.37500 1.000 1.000\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 4 +/- 4\par MAX. ABS. INTENSITY / VOLUME**2: 37.07801807 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 26.00 66.41 3.4270 0 1 1\par 31.30 2.99 2.8575 1 0 1\par 33.24 28.93 2.6950 0 0 2\par 33.38 100.00 2.6843 1 1 0\par 37.43 44.24 2.4028 1 1 1\par 39.10 38.23 2.3038 0 1 2\par 44.12 4.29 2.0527 0 2 1\par 47.83 37.44 1.9019 1 1 2\par 52.18 72.76 1.7531 1 2 1\par 53.48 12.76 1.7135 0 2 2\par 54.45 25.17 1.6850 2 0 0\par 55.15 16.93 1.6655 0 1 3\par 58.19 28.73 1.5854 1 0 3\par 60.63 5.61 1.5274 1 2 2\par 61.31 9.59 1.5121 2 1 1\par 62.17 7.58 1.4931 1 1 3\par 65.31 6.21 1.4287 2 0 2\par 65.39 15.45 1.4272 0 3 1\par 69.06 10.56 1.3600 2 1 2\par 71.83 2.03 1.3142 1 3 1\par 72.59 1.52 1.3024 2 2 1\par 72.92 1.93 1.2973 0 3 2\par 73.39 1.11 1.2902 1 2 3\par 79.10 6.31 1.2107 1 3 2\par 79.61 2.88 1.2043 1 1 4\par 79.83 6.12 1.2014 2 2 2\par 81.21 8.70 1.1845 2 1 3\par 84.02 9.55 1.1519 0 2 4\par 87.98 2.30 1.1100 0 4 0\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }