Diopside Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040009 Cameron M, Sueno S, Prewitt C T, Papike J J American Mineralogist 58 (1973) 594-618 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 24 C pyroxene CELL PARAMETERS: 9.7481 8.9230 5.2508 90.000 105.886 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.28620 0.09330 0.22930 1.000 0.230 Mg 0.00000 0.90820 0.25000 1.000 0.262 Ca 0.00000 0.30150 0.25000 1.000 0.518 O 0.11560 0.08730 0.14220 1.000 0.336 O 0.36110 0.25000 0.31800 1.000 0.464 O 0.35050 0.01760 0.99530 1.000 0.385 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: 11.99806806 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.90 3.12 4.4615 0 2 0 24.33 2.72 3.6587 1 1 1 26.66 10.45 3.3436 0 2 1 27.60 25.02 3.2318 2 2 0 29.88 100.00 2.9904 -2 2 1 30.30 26.84 2.9496 3 1 0 30.91 36.29 2.8932 -3 1 1 31.56 1.22 2.8351 1 3 0 34.99 24.27 2.5644 -1 3 1 35.47 2.17 2.5311 -2 0 2 35.55 41.21 2.5251 0 0 2 35.70 41.36 2.5152 2 2 1 37.65 1.30 2.3892 1 3 1 39.15 17.38 2.3012 3 1 1 40.74 9.51 2.2146 1 1 2 41.00 1.28 2.2015 -2 2 2 41.07 9.46 2.1976 0 2 2 41.93 10.05 2.1546 3 3 0 42.39 18.55 2.1323 -3 3 1 42.92 8.70 2.1072 -4 2 1 43.62 1.06 2.0750 4 2 0 44.39 19.27 2.0406 0 4 1 44.99 11.95 2.0148 -4 0 2 45.21 7.36 2.0057 2 0 2 46.12 7.84 1.9683 -1 3 2 49.00 2.19 1.8592 3 3 1 49.68 6.69 1.8351 5 1 0 49.85 3.06 1.8293 2 2 2 50.34 3.61 1.8126 1 3 2 52.17 13.78 1.7531 1 5 0 53.27 1.91 1.7196 -5 1 2 54.52 1.43 1.6831 -1 5 1 54.92 4.82 1.6718 0 4 2 55.42 6.50 1.6580 -3 1 3 56.65 14.39 1.6247 -5 3 1 56.69 17.47 1.6238 -2 2 3 56.99 5.21 1.6159 4 4 0 58.16 2.09 1.5862 5 3 0 59.12 3.79 1.5626 6 0 0 59.66 4.77 1.5497 3 5 0 60.55 5.23 1.5292 -6 0 2 60.70 2.49 1.5257 -6 2 1 60.84 6.59 1.5226 4 0 2 61.41 1.42 1.5099 -5 3 2 61.71 13.51 1.5031 -1 3 3 62.25 1.87 1.4915 2 4 2 62.45 4.67 1.4872 0 6 0 63.69 1.63 1.4611 4 4 1 64.41 2.66 1.4466 -6 2 2 64.69 1.45 1.4410 4 2 2 65.42 2.41 1.4266 0 6 1 65.65 18.68 1.4221 5 3 1 66.35 9.65 1.4088 -3 5 2 66.46 4.36 1.4067 1 5 2 67.40 4.57 1.3894 2 2 3 68.15 1.28 1.3759 -7 1 1 68.28 1.20 1.3737 -2 4 3 70.02 1.64 1.3437 0 4 3 70.82 6.93 1.3304 -7 1 2 71.07 4.28 1.3265 6 2 1 71.14 1.13 1.3252 5 1 2 71.19 1.18 1.3246 7 1 0 71.68 3.40 1.3166 -5 3 3 73.58 3.89 1.2872 -3 1 4 73.69 2.20 1.2856 -1 1 4 73.92 3.72 1.2822 -2 6 2 73.97 6.31 1.2814 0 6 2 75.06 1.83 1.2656 -4 0 4 75.25 1.05 1.2628 -4 6 1 75.27 3.56 1.2626 0 0 4 75.36 1.57 1.2612 -7 3 1 75.61 1.05 1.2576 4 4 2 76.34 7.80 1.2475 3 5 2 77.17 1.37 1.2361 -1 7 1 78.78 2.25 1.2149 1 7 1 78.95 1.24 1.2126 -7 1 3 82.26 1.91 1.1720 8 0 0 84.13 1.05 1.1507 -6 4 3 84.14 1.10 1.1506 6 2 2 84.41 3.51 1.1476 -6 0 4 88.25 1.84 1.1073 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.