Donpeacorite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060646 Petersen E U, Anovitz L M, Essene E J American Mineralogist 69 (1984) 472-480 Donpeacorite, (Mn,Mg)MgSi2O6, a new orthopyroxene and its proposed phase relations in the system MnSiO3-MgSiO3-FeSiO3 CELL PARAMETERS: 18.4000 8.8820 5.2280 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Mg 0.37510 0.65430 0.87210 1.000 0.694 Mg 0.37760 0.48010 0.36840 0.470 0.885 Mn 0.37760 0.48010 0.36840 0.530 0.885 Si 0.27120 0.34130 0.04840 1.000 0.674 Si 0.47490 0.33820 0.79490 1.000 0.653 O 0.18330 0.33790 0.04070 1.000 0.845 O 0.30990 0.50220 0.04670 1.000 0.828 O 0.30170 0.22920 0.82220 1.000 1.015 O 0.56320 0.34020 0.79810 1.000 0.790 O 0.43490 0.48720 0.70280 1.000 1.142 O 0.44750 0.20500 0.59020 1.000 1.040 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 8 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.740591125 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.30 3.68 4.6000 4 0 0 19.99 1.39 4.4410 0 2 0 21.97 22.25 4.0463 2 1 1 24.52 1.96 3.6311 3 1 1 26.78 25.83 3.3288 1 2 1 27.72 17.86 3.2187 4 1 1 27.93 86.17 3.1950 4 2 0 28.09 100.00 3.1765 2 2 1 30.16 60.16 2.9634 3 2 1 30.85 82.36 2.8988 6 1 0 31.39 42.11 2.8501 5 1 1 32.85 40.29 2.7262 4 2 1 34.66 4.05 2.5880 1 0 2 35.17 59.45 2.5514 1 3 1 35.41 16.72 2.5351 6 1 1 35.71 61.74 2.5145 2 0 2 36.05 32.14 2.4912 5 2 1 36.21 20.60 2.4808 2 3 1 37.40 17.84 2.4047 3 0 2 39.70 11.88 2.2704 7 1 1 40.12 5.04 2.2477 4 3 1 40.34 2.61 2.2360 1 2 2 40.99 3.78 2.2017 4 1 2 42.42 36.80 2.1311 5 0 2 42.44 5.34 2.1300 6 3 0 42.76 11.50 2.1146 3 2 2 42.85 28.19 2.1105 5 3 1 43.60 7.75 2.0760 7 2 1 43.68 10.44 2.0723 5 1 2 44.21 5.60 2.0485 8 1 1 44.35 4.95 2.0424 8 2 0 44.61 13.94 2.0313 1 4 1 45.35 9.80 1.9997 4 4 0 45.46 13.62 1.9952 2 4 1 46.01 32.50 1.9726 6 3 1 46.61 1.62 1.9485 1 3 2 47.81 7.03 1.9023 8 2 1 49.16 10.91 1.8535 7 0 2 50.25 6.18 1.8155 6 2 2 50.63 1.77 1.8028 4 3 2 50.67 8.98 1.8017 10 1 0 51.12 4.54 1.7867 5 4 1 52.46 15.67 1.7442 2 5 0 52.94 2.13 1.7296 5 3 2 53.40 7.08 1.7157 8 3 1 53.58 9.90 1.7105 7 2 2 53.82 1.11 1.7034 10 1 1 54.11 6.86 1.6950 8 1 2 54.45 3.53 1.6852 1 4 2 54.59 5.79 1.6813 2 1 3 55.18 5.92 1.6644 2 4 2 55.54 3.54 1.6545 2 5 1 55.81 5.68 1.6472 3 1 3 56.75 19.90 1.6222 0 2 3 56.75 1.13 1.6221 3 5 1 56.99 11.98 1.6160 1 2 3 57.20 9.54 1.6104 9 0 2 57.55 16.00 1.6014 9 3 1 57.71 1.39 1.5975 8 4 0 58.22 1.52 1.5846 9 1 2 58.42 1.32 1.5797 4 5 1 59.62 1.11 1.5508 5 1 3 60.20 8.43 1.5371 6 5 0 60.37 9.04 1.5333 12 0 0 60.52 3.19 1.5297 5 5 1 61.22 4.11 1.5139 9 2 2 61.98 26.47 1.4973 10 3 1 62.00 25.64 1.4968 1 3 3 62.68 9.09 1.4822 2 3 3 62.70 1.68 1.4817 6 4 2 62.77 22.79 1.4803 0 6 0 63.03 1.16 1.4747 6 5 1 65.31 11.95 1.4288 3 5 2 65.50 1.78 1.4251 10 2 2 65.54 1.13 1.4243 0 6 1 65.61 2.96 1.4229 7 4 2 65.76 1.22 1.4201 1 6 1 65.93 1.93 1.4167 7 5 1 66.34 13.75 1.4089 11 0 2 66.67 24.79 1.4029 11 3 1 67.00 1.43 1.3967 12 2 1 67.28 5.22 1.3915 11 1 2 67.34 2.50 1.3905 5 3 3 67.90 3.33 1.3805 7 2 3 68.44 4.25 1.3709 0 4 3 68.65 1.58 1.3671 1 4 3 68.80 2.38 1.3645 5 5 2 69.63 1.04 1.3503 13 1 1 69.72 8.72 1.3488 6 3 3 70.37 1.68 1.3379 3 4 3 71.62 12.58 1.3176 12 3 1 71.86 2.16 1.3138 4 4 3 71.99 1.31 1.3117 9 1 3 72.22 10.61 1.3082 12 1 2 72.37 1.39 1.3058 13 2 1 72.48 2.90 1.3040 7 3 3 72.50 4.77 1.3037 1 0 4 72.73 2.74 1.3001 14 1 0 73.41 4.00 1.2899 1 1 4 74.18 1.37 1.2783 3 0 4 74.20 1.03 1.2780 10 5 0 74.36 13.01 1.2757 2 6 2 75.33 1.75 1.2617 14 1 1 75.40 6.38 1.2606 3 6 2 75.64 6.65 1.2572 4 0 4 75.97 2.07 1.2526 10 1 3 76.53 1.18 1.2448 8 6 0 77.02 4.82 1.2382 8 5 2 77.42 2.29 1.2328 2 5 3 78.38 1.74 1.2200 5 1 4 78.44 1.99 1.2192 3 5 3 78.70 3.41 1.2158 5 6 2 80.50 6.84 1.1931 9 5 2 81.02 1.92 1.1868 5 2 4 82.50 1.28 1.1692 5 7 1 83.00 1.08 1.1635 10 3 3 83.28 1.30 1.1603 7 1 4 83.59 1.76 1.1567 7 6 2 84.19 2.23 1.1500 16 0 0 85.44 2.91 1.1363 8 0 4 87.55 1.08 1.1143 12 2 3 87.65 1.44 1.1133 16 2 0 88.59 2.31 1.1039 11 5 2 88.90 2.33 1.1009 8 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.