Diopside Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120003 Gordon W A, Peacor D R, Brown P E, Essene E J, Allard L F American Mineralogist 66 (1981) 127-141 Exsolution relationships in a clinopyroxene of average composition Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy _database_code_amcsd 0000805 CELL PARAMETERS: 9.7680 8.9440 5.2568 90.000 105.775 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.09290 0.75000 0.940 0.489 Mn 0.00000 0.09290 0.75000 0.060 0.489 Ca 0.00000 0.70720 0.75000 0.870 1.206 Mn 0.00000 0.70720 0.75000 0.130 1.206 Si 0.21140 0.40750 0.76350 1.000 0.790 O 0.38290 0.41210 0.85570 1.000 1.006 O 0.13580 0.25100 0.67150 1.000 1.197 O 0.14890 0.48120 0.99940 1.000 1.026 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: 11.38724240 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.85 1.94 4.4720 0 2 0 20.14 2.09 4.4083 -1 1 1 24.27 2.07 3.6680 1 1 1 26.60 12.19 3.3505 0 2 1 27.53 31.46 3.2398 2 2 0 29.83 100.00 2.9950 -2 2 1 30.22 32.05 2.9571 3 1 0 30.86 37.22 2.8973 -3 1 1 34.92 31.90 2.5695 -1 3 1 35.44 1.81 2.5332 -2 0 2 35.49 42.77 2.5294 0 0 2 35.60 40.18 2.5220 2 2 1 39.03 16.78 2.3080 3 1 1 40.65 9.60 2.2196 1 1 2 40.95 1.46 2.2041 -2 2 2 40.99 8.75 2.2016 0 2 2 41.82 8.28 2.1599 3 3 0 42.31 22.52 2.1362 -3 3 1 42.84 8.69 2.1109 -4 2 1 43.50 1.48 2.0803 4 2 0 44.29 17.67 2.0451 0 4 1 44.89 1.27 2.0191 2 4 0 44.95 13.37 2.0166 -4 0 2 45.09 8.59 2.0109 2 0 2 46.04 5.82 1.9716 -1 3 2 48.85 2.34 1.8642 3 3 1 49.55 5.67 1.8398 5 1 0 49.71 4.45 1.8340 2 2 2 50.22 3.25 1.8167 1 3 2 51.35 1.39 1.7792 4 2 1 52.04 13.94 1.7573 1 5 0 53.20 1.28 1.7216 -5 1 2 53.36 1.17 1.7169 3 1 2 54.76 1.27 1.6764 -2 4 2 54.80 4.05 1.6753 0 4 2 55.36 5.27 1.6595 -3 1 3 56.53 15.92 1.6279 -5 3 1 56.61 17.62 1.6258 -2 2 3 56.84 3.59 1.6199 4 4 0 58.00 1.58 1.5902 5 3 0 58.95 4.23 1.5667 6 0 0 59.51 5.09 1.5535 3 5 0 60.46 5.18 1.5312 -6 0 2 60.57 1.97 1.5287 -6 2 1 60.64 6.27 1.5270 4 0 2 61.31 1.06 1.5120 -5 3 2 61.60 13.52 1.5055 -1 3 3 62.08 2.16 1.4952 2 4 2 62.28 5.81 1.4907 0 6 0 63.29 1.03 1.4694 -3 3 3 63.50 1.08 1.4651 4 4 1 64.30 2.69 1.4486 -6 2 2 65.25 2.15 1.4299 0 6 1 65.44 20.68 1.4261 5 3 1 66.22 8.87 1.4113 -3 5 2 66.29 3.71 1.4100 1 5 2 67.22 3.83 1.3927 2 2 3 67.99 1.14 1.3787 -7 1 1 68.16 1.49 1.3757 -2 4 3 69.86 1.39 1.3463 0 4 3 70.70 6.56 1.3324 -7 1 2 70.83 3.06 1.3303 6 2 1 70.90 1.19 1.3291 5 1 2 70.97 1.33 1.3280 7 1 0 71.59 3.75 1.3181 -5 3 3 73.50 3.58 1.2885 -3 1 4 73.57 1.18 1.2875 -1 1 4 73.75 2.43 1.2847 -2 6 2 73.78 7.08 1.2842 0 6 2 74.98 2.28 1.2666 -4 0 4 75.12 3.33 1.2647 0 0 4 76.11 7.77 1.2507 3 5 2 78.55 1.62 1.2177 1 7 1 78.85 1.11 1.2139 -7 1 3 82.01 1.63 1.1750 8 0 0 84.33 2.83 1.1484 -6 0 4 88.00 1.41 1.1098 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.