Ferrosilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070386 Burnham C W, Ohashi Y, Hafner S S, Virgo D American Mineralogist 56 (1971) 850-876 Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene CELL PARAMETERS: 18.3830 9.0120 5.2344 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Si 0.27194 0.33944 0.04905 1.000 0.404 Si 0.47343 0.33490 0.79113 1.000 0.422 Fe 0.37566 0.65424 0.87451 0.750 0.587 Mg 0.37566 0.65424 0.87451 0.250 0.587 Fe 0.37795 0.48456 0.36682 0.960 0.818 Ca 0.37795 0.48456 0.36682 0.040 0.818 O 0.18427 0.33889 0.03899 1.000 0.516 O 0.31130 0.49661 0.05755 1.000 0.569 O 0.30229 0.23575 -0.18414 1.000 0.636 O 0.56154 0.33620 0.78991 1.000 0.596 O 0.43335 0.48202 0.69459 1.000 0.682 O 0.44735 0.20274 0.58737 1.000 0.655 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 8 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 8.138753231 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.76 35.94 6.4350 2 1 0 19.31 61.73 4.5957 4 0 0 20.20 1.55 4.3950 1 1 1 21.89 21.48 4.0606 2 1 1 26.09 6.98 3.4150 0 2 1 26.55 5.20 3.3575 1 2 1 27.66 12.27 3.2248 4 1 1 27.73 83.28 3.2175 4 2 0 27.87 68.18 3.2012 2 2 1 29.15 1.16 3.0638 6 0 0 29.95 74.93 2.9830 3 2 1 30.82 100.00 2.9008 6 1 0 31.35 31.16 2.8538 5 1 1 32.67 61.37 2.7411 4 2 1 34.62 17.75 2.5911 1 0 2 34.78 87.26 2.5796 1 3 1 35.38 12.87 2.5372 6 1 1 35.67 41.28 2.5171 2 0 2 35.82 63.59 2.5067 2 3 1 35.89 38.93 2.5021 5 2 1 36.07 4.90 2.4902 1 1 2 37.36 38.85 2.4069 3 0 2 37.51 2.86 2.3977 3 3 1 38.72 5.80 2.3254 3 1 2 39.20 3.98 2.2979 8 0 0 39.68 6.81 2.2715 7 1 1 39.77 3.39 2.2665 4 3 1 40.15 2.91 2.2462 1 2 2 40.93 2.81 2.2051 4 1 2 42.13 2.61 2.1450 6 3 0 42.39 48.31 2.1322 5 0 2 42.53 42.65 2.1258 5 3 1 42.59 10.32 2.1230 3 2 2 43.47 14.23 2.0818 7 2 1 43.62 15.84 2.0749 5 1 2 44.03 6.51 2.0565 1 4 1 44.20 3.66 2.0490 8 1 1 44.25 6.12 2.0471 8 2 0 44.80 6.21 2.0230 4 4 0 44.90 9.52 2.0189 2 4 1 45.71 51.52 1.9848 6 3 1 46.31 1.89 1.9607 3 4 1 47.16 1.36 1.9273 5 2 2 47.70 14.77 1.9065 8 2 1 48.23 2.41 1.8870 4 4 1 49.15 21.53 1.8538 7 0 2 49.27 3.22 1.8496 7 3 1 50.11 4.62 1.8204 6 2 2 50.25 1.20 1.8158 7 1 2 50.32 1.86 1.8132 4 3 2 50.62 6.79 1.8034 5 4 1 50.68 1.86 1.8012 10 1 0 51.68 24.62 1.7687 2 5 0 52.18 2.02 1.7529 9 2 1 52.64 1.05 1.7387 5 3 2 53.15 4.16 1.7234 8 3 1 53.45 10.42 1.7144 7 2 2 53.74 1.25 1.7056 1 1 3 53.83 1.17 1.7032 10 1 1 53.93 1.86 1.7002 1 4 2 54.08 4.82 1.6959 8 1 2 54.49 3.77 1.6840 2 1 3 54.67 4.57 1.6788 2 4 2 54.78 5.49 1.6756 2 5 1 55.72 3.54 1.6497 3 1 3 56.01 1.43 1.6419 3 5 1 56.56 21.99 1.6271 0 2 3 56.80 12.99 1.6207 1 2 3 57.21 13.86 1.6102 9 0 2 57.27 1.04 1.6087 8 4 0 57.32 22.30 1.6075 9 3 1 58.20 3.85 1.5851 9 1 2 59.50 11.49 1.5535 6 5 0 59.54 1.73 1.5527 5 1 3 59.81 4.33 1.5462 5 5 1 60.43 13.92 1.5319 12 0 0 61.12 3.98 1.5163 9 2 2 61.68 28.44 1.5037 1 3 3 61.76 33.92 1.5021 10 3 1 61.76 26.86 1.5020 0 6 0 61.80 1.59 1.5011 11 2 1 62.35 2.33 1.4893 6 5 1 62.37 15.12 1.4888 2 3 3 62.41 1.74 1.4879 5 2 3 62.80 2.95 1.4796 1 5 2 63.50 2.80 1.4650 3 3 3 64.60 14.02 1.4427 3 5 2 65.17 1.96 1.4315 7 4 2 65.27 2.28 1.4296 7 5 1 65.36 2.56 1.4277 4 6 0 66.37 16.69 1.4085 11 0 2 66.47 25.73 1.4067 11 3 1 66.95 2.57 1.3977 12 2 1 67.05 6.10 1.3958 5 3 3 67.28 6.06 1.3916 11 1 2 67.75 4.01 1.3831 7 2 3 67.95 5.05 1.3795 0 4 3 68.12 4.56 1.3765 5 5 2 68.17 1.53 1.3756 1 4 3 69.44 13.87 1.3535 6 3 3 70.98 1.57 1.3279 8 2 3 71.43 10.76 1.3206 12 3 1 71.94 1.22 1.3125 9 1 3 72.19 1.99 1.3086 0 0 4 72.19 1.04 1.3085 9 5 1 72.21 4.58 1.3082 7 3 3 72.22 8.20 1.3081 12 1 2 72.32 1.58 1.3065 13 2 1 72.40 3.97 1.3053 1 0 4 72.78 3.71 1.2994 14 1 0 73.25 2.06 1.2923 7 5 2 73.28 2.97 1.2918 1 1 4 73.41 10.40 1.2898 2 6 2 73.91 1.34 1.2824 2 1 4 74.46 11.04 1.2742 3 6 2 75.37 1.42 1.2611 14 1 1 75.55 10.73 1.2586 4 0 4 75.64 3.62 1.2572 8 6 0 75.68 1.30 1.2567 0 2 4 75.93 1.26 1.2532 10 1 3 76.38 3.64 1.2469 8 5 2 76.73 2.51 1.2421 2 5 3 77.76 2.06 1.2282 3 5 3 77.78 6.25 1.2279 5 6 2 78.27 1.32 1.2215 5 1 4 79.88 8.94 1.2008 9 5 2 80.52 1.24 1.1928 6 1 4 80.83 1.97 1.1891 5 2 4 82.21 1.98 1.1726 14 3 1 82.69 4.87 1.1670 7 6 2 83.17 1.03 1.1615 7 1 4 83.88 1.10 1.1535 15 2 1 84.29 3.35 1.1489 16 0 0 85.37 5.29 1.1371 8 0 4 87.45 2.41 1.1154 12 2 3 87.65 1.41 1.1133 16 2 0 87.99 1.64 1.1099 15 0 2 88.00 3.23 1.1098 11 5 2 88.73 1.50 1.1026 8 2 4 89.16 7.20 1.0983 9 6 2 89.60 1.58 1.0941 4 8 0 89.66 1.97 1.0935 2 8 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.