Diopside Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040097 Tribaudino M, Molin G M, Bruno E European Journal of Mineralogy 6 (1994) 77-86 Effect of Al on enstatite solubility in CMAS clinopyroxenes: 2 - Crystal chemical considerations Sample: Di75En10CaTs15 CELL PARAMETERS: 9.7503 8.8914 5.2734 90.000 105.891 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.30110 0.25000 0.450 1.160 Mg 0.00000 0.30110 0.25000 0.050 1.160 Mg 0.00000 0.90790 0.25000 0.860 0.810 Al 0.00000 0.90790 0.25000 0.140 0.810 Al 0.28750 0.09340 0.22940 0.075 0.780 Si 0.28750 0.09340 0.22940 0.925 0.780 O 0.11430 0.08660 0.13900 1.000 0.980 O 0.36270 0.25230 0.32120 1.000 1.190 O 0.35180 0.01840 0.99470 1.000 1.030 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 8.509562547 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.72 3.36 6.4522 1 1 0 18.93 6.53 4.6888 2 0 0 19.97 20.29 4.4457 0 2 0 20.13 9.64 4.4116 -1 1 1 24.28 1.80 3.6660 1 1 1 26.66 28.18 3.3432 0 2 1 27.65 12.66 3.2261 2 2 0 29.89 100.00 2.9890 -2 2 1 30.31 47.75 2.9490 3 1 0 30.89 22.88 2.8949 -3 1 1 35.05 22.46 2.5601 -1 3 1 35.33 9.72 2.5406 -2 0 2 35.40 35.68 2.5359 0 0 2 35.69 39.43 2.5159 2 2 1 37.70 5.22 2.3864 1 3 1 39.10 10.48 2.3038 3 1 1 40.60 16.18 2.2220 1 1 2 40.97 5.22 2.2028 0 2 2 42.01 5.77 2.1507 3 3 0 42.45 16.66 2.1295 -3 3 1 42.93 6.68 2.1065 -4 2 1 44.50 14.36 2.0359 0 4 1 44.90 9.08 2.0190 -4 0 2 45.06 5.10 2.0120 2 0 2 46.08 4.70 1.9700 -1 3 2 46.64 4.20 1.9473 -2 4 1 47.99 2.90 1.8958 -5 1 1 49.59 2.89 1.8383 -4 2 2 49.68 6.67 1.8352 5 1 0 49.74 1.38 1.8330 2 2 2 50.18 1.02 1.8179 -3 3 2 50.29 1.46 1.8145 1 3 2 50.82 2.81 1.7967 2 4 1 52.37 9.52 1.7471 1 5 0 53.20 1.71 1.7219 -5 1 2 53.39 1.58 1.7161 3 1 2 54.68 1.63 1.6785 -1 5 1 54.93 7.47 1.6716 0 4 2 55.21 4.12 1.6638 -3 1 3 56.49 17.10 1.6289 -2 2 3 56.70 14.81 1.6234 -5 3 1 57.10 7.72 1.6131 4 4 0 59.11 2.55 1.5629 6 0 0 59.84 3.31 1.5457 3 5 0 60.47 4.44 1.5309 -6 0 2 60.70 5.80 1.5258 4 0 2 60.71 1.64 1.5254 -6 2 1 61.55 14.11 1.5066 -1 3 3 62.24 1.82 1.4917 2 4 2 62.69 6.64 1.4819 0 6 0 64.12 1.94 1.4523 -5 1 3 64.36 1.38 1.4475 -6 2 2 64.58 3.40 1.4432 4 2 2 65.64 1.30 1.4224 0 6 1 65.66 20.05 1.4220 5 3 1 66.44 8.21 1.4072 -3 5 2 66.52 2.49 1.4056 1 5 2 67.18 4.20 1.3934 2 2 3 68.18 3.35 1.3753 -2 4 3 70.77 9.34 1.3314 -7 1 2 71.01 1.00 1.3274 5 1 2 71.04 3.48 1.3270 6 2 1 71.18 1.81 1.3247 7 1 0 71.57 3.00 1.3184 -5 3 3 73.25 5.57 1.2923 -3 1 4 73.33 2.11 1.2910 -1 1 4 74.06 3.40 1.2801 -2 6 2 74.10 8.11 1.2795 0 6 2 74.73 1.22 1.2703 -4 0 4 74.89 2.76 1.2680 0 0 4 75.41 2.55 1.2606 -7 3 1 75.59 1.49 1.2580 4 4 2 76.38 6.64 1.2469 3 5 2 79.05 1.79 1.2113 1 7 1 82.24 1.28 1.1722 8 0 0 84.11 2.92 1.1508 -6 0 4 87.88 1.26 1.1110 2 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.