Rhodonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the single crystal data of R100038 Peacor D R, Essene E J, Brown P E, Winter G A American Mineralogist 63 (1978) 1137-1142 The crystal chemistry and petrogenesis of a magnesian rhodonite AMCSD#0000689 CELL PARAMETERS: 9.8250 10.5280 12.2190 108.550 103.020 82.490 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00123 0.03004 0.14764 0.890 0.700 Mg 0.00123 0.03004 0.14764 0.110 0.700 Mn 0.00119 0.12745 0.44535 0.860 0.740 Mg 0.00119 0.12745 0.44535 0.140 0.740 Mn 0.01589 0.20418 0.73086 0.860 0.720 Mg 0.01589 0.20418 0.73086 0.140 0.720 Mn 0.05527 0.26488 0.02469 0.530 0.930 Mg 0.05527 0.26488 0.02469 0.470 0.930 Ca 0.99616 0.35153 0.30258 0.600 1.110 Mn 0.99616 0.35153 0.30258 0.400 1.110 Si 0.20450 0.44870 0.91260 1.000 0.720 Si 0.21210 0.36550 0.65460 1.000 0.690 Si 0.21600 0.57870 0.53020 1.000 0.730 Si 0.21380 0.50610 0.26160 1.000 0.740 Si 0.20690 0.70150 0.12520 1.000 0.700 Oa 0.12760 0.07340 0.03900 1.000 1.010 Oa 0.11920 0.15850 0.32190 1.000 1.020 Oa 0.11510 0.92160 0.43590 1.000 1.000 Oa 0.11850 0.01410 0.73240 1.000 0.960 Oa 0.12740 0.78950 0.85470 1.000 0.930 Oa 0.10050 0.83270 0.13010 1.000 0.980 Ob 0.12690 0.32120 0.90460 1.000 1.180 Ob 0.12450 0.23420 0.61140 1.000 1.050 Ob 0.12730 0.71000 0.59110 1.000 1.580 Ob 0.12540 0.38070 0.18350 1.000 1.210 Oc 0.17010 0.46720 0.77880 1.000 1.020 Oc 0.16020 0.45560 0.56320 1.000 1.370 Oc 0.16490 0.53770 0.38750 1.000 1.100 Oc 0.15950 0.64260 0.22150 1.000 0.980 Oc 0.14650 0.59270 0.99580 1.000 0.890 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 9 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 9.492199866 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.42 9.83 7.1258 1 1 0 13.25 9.44 6.6844 -1 1 0 15.60 2.48 5.6804 0 0 2 18.58 15.79 4.7764 2 0 0 19.89 2.90 4.4641 0 -2 2 21.16 1.19 4.1984 -1 1 2 21.52 5.15 4.1299 0 2 1 23.27 5.36 3.8221 1 1 2 23.32 3.49 3.8137 -2 -2 1 24.25 2.30 3.6703 -2 -2 2 24.99 13.89 3.5629 2 2 0 26.12 4.69 3.4111 -1 -3 1 26.30 1.46 3.3889 1 -1 3 26.63 5.27 3.3476 2 0 2 26.67 11.04 3.3422 -2 2 0 26.70 10.94 3.3382 -1 -3 2 27.11 1.31 3.2891 0 2 2 27.33 8.02 3.2632 2 -2 1 27.52 3.01 3.2410 -2 -2 3 27.81 3.16 3.2083 -1 1 3 28.31 11.84 3.1524 -2 2 1 28.39 41.85 3.1434 1 -3 1 28.83 15.46 3.0965 2 2 1 28.89 16.88 3.0909 3 1 0 29.03 1.09 3.0758 -1 3 0 29.37 1.52 3.0412 -1 -1 4 29.93 22.24 2.9854 1 -3 2 30.00 51.59 2.9784 -3 1 0 30.15 3.50 2.9644 2 -2 2 30.46 79.13 2.9351 1 1 3 31.72 1.25 2.8206 -1 3 1 31.76 4.94 2.8171 3 -1 1 31.78 1.27 2.8156 -3 -1 3 31.92 1.33 2.8035 -2 2 2 32.09 5.32 2.7896 3 1 1 32.49 100.00 2.7559 -2 -2 4 32.62 1.85 2.7454 -3 1 2 33.37 1.75 2.6851 1 -3 3 33.41 2.07 2.6824 -2 0 4 33.74 22.80 2.6561 0 2 3 34.00 1.03 2.6369 -1 -3 4 34.18 1.43 2.6234 2 2 2 34.49 22.21 2.6004 0 -4 1 35.33 4.63 2.5405 -3 -3 2 35.73 19.30 2.5131 -3 -3 1 36.42 3.43 2.4672 -3 -1 4 36.60 14.13 2.4552 -3 1 3 36.79 1.60 2.4432 1 3 2 36.92 1.58 2.4349 -4 0 1 36.99 4.53 2.4301 -2 2 3 37.49 1.61 2.3989 -2 -4 1 37.66 2.54 2.3882 4 0 0 37.88 2.38 2.3753 3 3 0 37.91 1.17 2.3735 -4 0 2 38.26 2.35 2.3525 1 -3 4 38.83 4.42 2.3190 -4 -2 2 39.76 5.09 2.2669 -3 -3 4 40.34 16.57 2.2358 2 -2 4 40.53 23.11 2.2260 2 2 3 40.53 2.19 2.2259 -4 0 3 40.77 3.11 2.2133 3 -3 1 41.34 30.68 2.1839 2 -4 1 41.81 4.15 2.1606 -3 3 1 42.29 1.56 2.1369 2 -4 2 42.63 1.03 2.1208 3 -3 2 42.66 13.69 2.1192 3 1 3 43.30 20.62 2.0898 -4 -2 4 43.79 5.22 2.0674 -1 -5 1 44.20 1.19 2.0490 1 -3 5 45.28 1.55 2.0027 0 -4 5 45.45 1.37 1.9956 -2 -2 6 45.78 4.06 1.9819 1 -5 1 46.90 2.58 1.9374 2 -2 5 47.89 1.46 1.8994 -5 -1 3 47.90 4.06 1.8989 5 1 0 47.99 1.07 1.8958 -4 -4 3 48.03 4.62 1.8944 -1 3 4 48.11 1.13 1.8914 -2 0 6 48.57 3.80 1.8745 -4 2 3 48.68 1.86 1.8707 -5 1 1 48.72 2.15 1.8690 -3 3 3 48.79 1.02 1.8664 -3 -1 6 48.82 3.21 1.8656 -4 -4 1 48.90 2.62 1.8625 4 0 3 49.33 1.11 1.8474 3 1 4 49.62 1.08 1.8372 -5 1 2 49.68 2.28 1.8352 -4 -4 4 49.68 2.78 1.8350 -4 0 5 49.90 1.90 1.8276 1 3 4 49.94 4.56 1.8262 -1 -5 5 49.97 1.31 1.8251 -1 5 1 50.45 1.92 1.8091 -3 -5 4 50.67 4.72 1.8015 -5 -1 4 51.57 2.57 1.7722 -5 -3 1 51.91 1.17 1.7615 -5 1 3 52.31 2.42 1.7489 3 3 3 52.83 1.63 1.7328 -5 -3 4 53.18 21.82 1.7222 -1 -1 7 53.26 3.91 1.7199 -3 -5 5 53.73 1.64 1.7060 -2 -6 3 53.96 7.85 1.6994 -1 5 2 54.04 10.23 1.6970 1 5 2 54.23 8.96 1.6914 4 2 3 54.69 7.49 1.6782 -1 -5 6 55.03 16.02 1.6687 4 -4 1 55.58 6.63 1.6536 4 -2 4 55.99 1.25 1.6423 -3 5 0 56.18 8.11 1.6372 -2 0 7 56.72 4.44 1.6230 0 0 7 57.24 1.07 1.6094 -3 -5 6 57.45 1.99 1.6041 -2 2 6 57.54 9.74 1.6017 -2 -6 5 57.58 1.64 1.6007 1 -1 7 57.92 4.29 1.5921 6 0 0 58.21 7.22 1.5849 0 -6 5 58.85 1.68 1.5693 2 -6 1 58.97 2.62 1.5662 4 -4 3 59.47 4.34 1.5543 -6 -2 4 59.71 3.18 1.5487 5 1 3 59.73 1.98 1.5483 4 4 2 60.96 2.17 1.5198 -3 5 2 61.19 4.31 1.5147 3 5 2 61.59 2.24 1.5057 4 0 5 61.92 1.68 1.4986 -1 -7 2 61.95 1.31 1.4980 2 -2 7 62.40 2.14 1.4882 -6 -2 5 62.41 1.38 1.4880 0 -2 8 62.60 3.93 1.4839 -4 0 7 62.72 1.50 1.4814 -5 -5 1 62.84 10.80 1.4789 0 6 2 62.90 2.40 1.4775 -1 3 6 63.32 1.19 1.4687 -2 -4 8 63.35 2.31 1.4681 -5 -5 5 63.71 1.04 1.4607 6 0 2 63.74 1.38 1.4602 -6 -4 2 63.74 2.02 1.4600 -4 -6 5 64.11 1.47 1.4526 2 0 7 64.45 2.12 1.4457 1 -7 2 65.04 2.25 1.4341 -1 -7 5 65.13 12.95 1.4322 -6 2 3 65.18 6.84 1.4313 0 -4 8 65.21 9.62 1.4307 -6 -4 1 65.56 3.00 1.4238 1 3 6 65.62 2.57 1.4227 2 -6 5 66.05 3.48 1.4146 -3 -7 2 66.36 1.22 1.4086 6 -2 2 66.85 2.91 1.3995 -3 3 6 67.36 6.52 1.3902 5 -3 4 67.48 1.16 1.3880 -3 -7 5 68.04 1.87 1.3779 -4 -4 8 68.41 1.69 1.3714 -1 1 8 69.60 2.06 1.3508 5 -1 5 70.21 2.12 1.3406 -7 1 0 70.41 1.23 1.3373 -7 -3 4 70.78 1.61 1.3311 -3 1 8 70.91 3.26 1.3290 -7 -3 1 70.93 1.11 1.3288 -7 1 3 70.97 1.24 1.3281 -2 -4 9 71.78 3.70 1.3150 -2 4 6 71.82 1.31 1.3144 -7 -1 5 73.24 1.35 1.2924 0 -4 9 73.30 4.29 1.2916 -2 -8 2 73.35 2.16 1.2907 2 -4 8 74.68 1.93 1.2709 6 -2 4 74.95 1.22 1.2671 -4 -4 9 75.14 1.11 1.2643 -5 -7 3 76.29 3.24 1.2482 -5 -7 2 76.91 3.63 1.2396 -5 3 6 78.34 1.01 1.2205 2 -8 2 78.77 2.02 1.2149 -6 -4 8 80.42 1.05 1.1941 8 0 0 83.21 1.94 1.1611 3 -5 8 86.32 1.27 1.1270 -1 -9 6 87.72 1.22 1.1126 5 -7 2 88.14 1.14 1.1084 -1 1 10 89.00 3.35 1.0999 5 3 6 89.07 1.29 1.0992 5 -7 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.