Epidote Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110127 Nagashima M, Akasada M American Mineralogist 95 (2010) 1237-1246 X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Locality: synthetic Sample: q=0.5, run 21 _database_code_amcsd 0016952 CELL PARAMETERS: 8.8880 5.6080 10.1700 90.000 115.391 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.75390 0.75000 0.14920 1.000 1.300 Ca 0.60000 0.75000 0.42290 1.000 1.300 Al 0.00000 0.00000 0.00000 0.790 0.600 Fe 0.00000 0.00000 0.00000 0.080 0.700 Mn 0.00000 0.00000 0.00000 0.130 0.700 Al 0.00000 0.00000 0.50000 1.000 0.600 Al 0.29550 0.25000 0.22610 0.290 0.600 Fe 0.29550 0.25000 0.22610 0.310 0.700 Mn 0.29550 0.25000 0.22610 0.400 0.700 Si 0.34010 0.75000 0.04690 1.000 0.500 Si 0.68280 0.25000 0.27500 1.000 0.500 Si 0.18710 0.75000 0.32450 1.000 0.500 O 0.23730 0.98500 0.03490 1.000 1.000 O 0.30620 0.98100 0.35660 1.000 1.000 O 0.80180 0.01800 0.34870 1.000 1.000 O 0.06200 0.25000 0.13690 1.000 1.000 O 0.04640 0.75000 0.14800 1.000 1.000 O 0.06120 0.75000 0.40800 1.000 1.000 O 0.51820 0.75000 0.17730 1.000 1.000 O 0.51820 0.25000 0.30100 1.000 1.000 O 0.61900 0.25000 0.09800 1.000 1.000 OH 0.07900 0.25000 0.42800 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 9.110652337 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.63 2.77 9.1876 0 0 1 11.02 4.74 8.0294 1 0 0 11.10 4.71 7.9727 -1 0 1 17.51 1.66 5.0649 1 0 1 17.66 29.84 5.0222 -1 0 2 19.31 1.77 4.5976 1 1 0 19.35 3.82 4.5869 -1 1 1 22.14 13.92 4.0147 2 0 0 22.30 22.47 3.9863 -2 0 2 23.67 4.91 3.7588 1 1 1 23.78 3.08 3.7412 -1 1 2 25.58 32.18 3.4829 -2 1 1 26.16 13.35 3.4071 1 0 2 27.81 9.03 3.2085 2 0 1 29.16 4.28 3.0625 0 0 3 30.52 1.47 2.9289 -3 0 1 30.61 15.95 2.9206 -3 0 2 30.70 1.48 2.9118 1 1 2 30.85 100.00 2.8982 -1 1 3 31.92 36.86 2.8040 0 2 0 32.14 8.20 2.7849 2 1 1 32.37 3.72 2.7660 -2 1 3 33.33 35.73 2.6879 0 1 3 33.48 18.48 2.6765 3 0 0 33.86 23.36 2.6472 1 2 0 34.55 41.08 2.5962 -3 1 1 34.63 2.07 2.5904 -3 1 2 35.45 14.48 2.5324 2 0 2 35.75 3.16 2.5113 -1 0 4 36.71 9.86 2.4483 -1 2 2 37.45 29.08 2.4015 -3 1 3 37.58 26.89 2.3934 0 2 2 37.94 3.71 2.3714 -2 2 1 39.03 2.20 2.3080 2 1 2 39.14 4.88 2.3014 1 1 3 39.23 2.13 2.2963 -3 0 4 39.28 10.07 2.2935 -2 2 2 39.31 2.77 2.2920 -1 1 4 39.31 3.65 2.2918 -2 1 4 41.74 15.98 2.1641 -4 0 1 41.83 6.58 2.1595 -1 2 3 41.92 2.60 2.1552 -4 0 3 42.53 1.18 2.1255 0 1 4 42.83 18.60 2.1113 2 2 1 43.01 15.80 2.1030 -2 2 3 43.77 14.19 2.0681 0 2 3 44.22 6.24 2.0480 2 0 3 44.74 1.69 2.0255 -3 2 1 45.17 6.00 2.0074 4 0 0 45.68 2.02 1.9859 -1 0 5 46.42 1.42 1.9559 -3 0 5 47.25 3.83 1.9238 2 1 3 48.43 8.81 1.8794 2 2 2 48.46 3.40 1.8786 1 1 4 48.64 3.08 1.8720 -1 1 5 48.67 6.52 1.8707 -1 2 4 48.68 13.22 1.8706 -2 2 4 48.93 2.39 1.8617 3 1 2 50.10 1.53 1.8206 1 3 0 51.43 2.08 1.7769 0 2 4 51.62 4.52 1.7708 -5 0 2 52.40 2.95 1.7462 0 1 5 52.55 2.15 1.7415 -4 2 2 53.15 3.66 1.7231 -2 3 1 53.73 5.47 1.7059 -4 1 5 53.81 1.27 1.7035 2 0 4 54.19 2.69 1.6927 -2 0 6 54.33 2.73 1.6886 -5 1 2 54.42 1.98 1.6860 -5 1 3 54.84 3.59 1.6741 -3 0 6 56.11 11.40 1.6390 -1 0 6 56.20 11.05 1.6367 -5 1 1 56.21 9.77 1.6364 -1 3 3 56.37 2.66 1.6322 4 2 0 56.45 2.40 1.6300 2 1 4 56.65 6.08 1.6249 1 2 4 56.66 15.46 1.6246 -4 2 4 56.81 1.07 1.6205 -2 1 6 57.02 1.15 1.6152 2 3 1 57.07 5.24 1.6139 3 2 2 57.78 5.30 1.5956 0 3 3 58.01 11.02 1.5898 -4 0 6 58.49 4.48 1.5780 1 1 5 58.58 9.13 1.5758 -3 3 1 58.63 1.03 1.5745 -3 3 2 59.91 3.19 1.5438 5 1 0 59.98 5.59 1.5424 4 1 2 60.56 4.10 1.5290 -3 3 3 61.43 2.16 1.5092 -4 2 5 62.72 1.50 1.4813 -6 0 3 63.47 1.10 1.4657 -5 0 6 63.71 2.09 1.4608 3 0 4 63.73 3.53 1.4603 -6 0 4 63.95 3.33 1.4559 2 2 4 63.96 11.05 1.4556 -5 2 4 64.28 3.64 1.4491 -2 2 6 64.42 1.14 1.4464 3 2 3 64.87 8.28 1.4374 -3 2 6 65.64 1.14 1.4224 4 0 3 66.53 4.28 1.4055 2 1 5 66.72 20.26 1.4020 0 4 0 66.93 1.02 1.3981 -2 1 7 67.18 2.73 1.3935 5 2 0 67.23 14.75 1.3925 4 2 2 68.45 1.16 1.3707 -6 1 1 68.85 1.29 1.3637 1 3 4 69.84 2.48 1.3467 5 0 2 70.01 3.52 1.3439 0 2 6 71.31 1.01 1.3226 -2 4 2 72.07 1.10 1.3104 0 3 5 72.12 1.80 1.3097 -6 2 3 72.81 1.13 1.2989 -5 2 6 72.87 3.56 1.2981 -6 2 2 73.06 2.97 1.2952 -6 2 4 73.19 1.85 1.2931 -4 3 5 73.45 1.05 1.2892 2 2 5 73.69 1.24 1.2856 -5 3 2 74.05 1.35 1.2802 3 0 5 74.20 1.80 1.2780 0 1 7 74.66 2.38 1.2712 -3 0 8 74.85 2.90 1.2685 4 2 3 75.01 1.47 1.2662 4 0 4 75.17 1.65 1.2639 -3 4 2 75.29 5.28 1.2622 -5 3 1 75.29 1.28 1.2622 -6 2 1 75.31 1.34 1.2619 2 0 6 75.66 3.93 1.2569 -6 2 5 76.08 1.15 1.2510 1 2 6 76.74 2.52 1.2419 3 4 0 77.27 2.12 1.2347 1 3 5 77.88 3.16 1.2266 2 4 2 78.53 1.40 1.2181 5 3 0 78.58 1.87 1.2174 4 3 2 79.11 2.92 1.2105 -6 1 7 80.86 1.64 1.1887 0 2 7 81.87 1.66 1.1767 -4 4 1 84.24 1.07 1.1494 4 4 0 84.36 1.39 1.1482 -6 0 8 84.50 2.08 1.1466 2 3 5 86.63 1.75 1.1238 7 1 0 87.37 1.58 1.1162 -7 1 7 87.72 1.92 1.1126 -1 2 8 87.74 1.77 1.1124 -5 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.