Epidote Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100148 Dollase W A American Mineralogist 56 (1971) 447-464 Refinement of the crystal structures of epidote, allanite and hancockite _database_code_amcsd 0000226 CELL PARAMETERS: 8.9180 5.6388 10.1820 90.000 115.411 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.75620 0.75000 0.15100 1.000 0.760 Ca 0.60420 0.75000 0.42410 1.000 0.920 Si 0.33960 0.75000 0.04730 1.000 0.410 Si 0.68510 0.25000 0.27440 1.000 0.480 Si 0.18440 0.75000 0.31890 1.000 0.420 Al 0.00000 0.00000 0.00000 0.930 0.510 Fe 0.00000 0.00000 0.00000 0.050 0.510 Al 0.00000 0.00000 0.50000 1.000 0.430 Fe 0.29460 0.25000 0.22450 0.760 0.420 Al 0.29460 0.25000 0.22450 0.240 0.420 O 0.23390 0.99230 0.04100 1.000 0.700 O 0.30400 0.98090 0.35540 1.000 0.630 O 0.79570 0.01520 0.33820 1.000 0.790 O 0.05280 0.25000 0.12940 1.000 0.600 O 0.04170 0.75000 0.14710 1.000 0.600 O 0.06830 0.75000 0.40780 1.000 0.500 O 0.51640 0.75000 0.18250 1.000 0.600 O 0.52810 0.25000 0.30990 1.000 0.900 O 0.62650 0.25000 0.09900 1.000 1.000 OH 0.08380 0.25000 0.42980 1.000 0.700 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: 9.073616691 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.62 1.59 9.1969 0 0 1 10.98 3.40 8.0552 1 0 0 11.07 4.53 7.9937 -1 0 1 17.47 1.70 5.0755 1 0 1 17.63 28.07 5.0294 -1 0 2 19.21 2.72 4.6194 1 1 0 19.26 4.16 4.6078 -1 1 1 22.07 20.54 4.0276 2 0 0 22.24 19.72 3.9968 -2 0 2 23.58 5.40 3.7724 1 1 1 23.71 2.92 3.7534 -1 1 2 25.47 35.34 3.4975 -2 1 1 26.11 10.83 3.4125 1 0 2 27.73 10.26 3.2168 2 0 1 29.13 2.89 3.0656 0 0 3 30.51 13.52 2.9300 -3 0 2 30.62 1.09 2.9195 1 1 2 30.78 100.00 2.9048 -1 1 3 31.74 40.82 2.8194 0 2 0 32.03 7.23 2.7941 2 1 1 32.28 4.40 2.7736 -2 1 3 33.27 31.95 2.6933 0 1 3 33.37 18.39 2.6851 3 0 0 33.68 20.34 2.6611 1 2 0 34.41 43.69 2.6062 -3 1 1 34.50 1.67 2.5999 -3 1 2 35.37 17.75 2.5378 2 0 2 35.72 2.71 2.5139 -1 0 4 36.54 8.40 2.4593 -1 2 2 37.08 1.18 2.4243 3 1 0 37.33 31.14 2.4091 -3 1 3 37.41 24.13 2.4036 0 2 2 37.75 4.27 2.3830 -2 2 1 38.92 1.96 2.3142 2 1 2 39.06 5.47 2.3062 1 1 3 39.10 10.35 2.3039 -2 2 2 39.15 1.38 2.3011 -3 0 4 39.23 4.50 2.2967 -2 1 4 39.24 2.57 2.2961 -1 1 4 41.59 16.69 2.1715 -4 0 1 41.67 7.69 2.1675 -1 2 3 41.78 1.26 2.1618 -4 0 3 42.46 1.37 2.1290 0 1 4 42.64 16.52 2.1203 2 2 1 42.83 17.98 2.1113 -2 2 3 43.61 14.34 2.0752 0 2 3 44.14 7.17 2.0517 2 0 3 44.53 2.59 2.0346 -3 2 1 45.02 6.07 2.0138 4 0 0 45.64 1.50 1.9879 -1 0 5 46.34 1.48 1.9593 -3 0 5 46.92 1.11 1.9366 -3 2 3 47.14 4.78 1.9280 2 1 3 48.25 10.56 1.8862 2 2 2 48.37 3.16 1.8819 1 1 4 48.37 1.45 1.8819 1 2 3 48.51 12.79 1.8767 -2 2 4 48.52 5.96 1.8763 -1 2 4 48.56 3.31 1.8748 -1 1 5 48.78 3.58 1.8668 3 1 2 49.82 1.53 1.8304 1 3 0 50.93 1.37 1.7929 3 2 1 51.27 1.66 1.7818 0 2 4 51.43 4.74 1.7769 -5 0 2 52.32 2.08 1.7487 -4 2 2 52.32 2.59 1.7487 0 1 5 52.86 4.20 1.7320 -2 3 1 53.24 1.13 1.7204 -4 2 1 53.59 5.78 1.7102 -4 1 5 54.12 2.32 1.6947 -5 1 2 54.12 2.64 1.6946 -2 0 6 54.22 2.33 1.6918 -5 1 3 54.75 4.55 1.6765 -3 0 6 55.84 1.76 1.6464 1 0 5 55.94 11.06 1.6437 -1 3 3 55.98 12.99 1.6426 -5 1 1 56.05 11.31 1.6406 -1 0 6 56.13 2.74 1.6387 4 2 0 56.33 2.13 1.6331 2 1 4 56.44 14.12 1.6304 -4 2 4 56.48 6.04 1.6293 1 2 4 56.72 1.08 1.6229 2 3 1 56.72 1.61 1.6229 -2 1 6 56.85 4.89 1.6194 3 2 2 57.52 5.03 1.6024 0 3 3 57.89 11.06 1.5928 -4 0 6 58.27 9.26 1.5835 -3 3 1 58.33 1.05 1.5820 -3 3 2 58.39 6.19 1.5804 1 1 5 59.69 3.12 1.5491 5 1 0 59.79 6.32 1.5467 4 1 2 60.26 5.09 1.5359 -3 3 3 61.22 2.72 1.5140 -4 2 5 62.49 1.05 1.4863 -6 0 3 63.31 1.21 1.4690 -5 0 6 63.50 4.14 1.4650 -6 0 4 63.57 1.57 1.4635 3 0 4 63.70 11.98 1.4609 -5 2 4 63.76 3.75 1.4598 2 2 4 64.12 4.07 1.4524 -2 2 6 64.20 1.52 1.4507 3 2 3 64.69 7.95 1.4410 -3 2 6 65.47 1.15 1.4257 4 0 3 66.30 21.77 1.4097 0 4 0 66.40 4.80 1.4079 2 1 5 66.53 1.27 1.4055 -3 1 7 66.83 1.26 1.4000 -2 1 7 66.89 2.73 1.3988 5 2 0 66.98 15.06 1.3971 4 2 2 67.55 1.24 1.3868 -4 2 6 67.59 1.19 1.3859 2 3 3 68.18 1.15 1.3754 -6 1 1 68.57 1.33 1.3685 1 3 4 69.63 2.03 1.3503 5 0 2 69.84 3.44 1.3467 0 2 6 71.80 1.42 1.3148 -6 2 3 72.54 3.44 1.3031 -6 2 2 72.75 3.50 1.3000 -6 2 4 72.87 1.84 1.2980 -4 3 5 73.32 1.22 1.2912 -5 3 2 73.90 1.49 1.2824 3 0 5 74.10 1.90 1.2796 0 1 7 74.56 2.95 1.2727 -3 0 8 74.59 3.50 1.2723 4 2 3 74.73 1.53 1.2703 -3 4 2 74.83 1.25 1.2689 4 0 4 74.91 5.91 1.2677 -5 3 1 74.96 1.40 1.2670 -6 2 1 75.19 1.38 1.2636 2 0 6 75.36 4.52 1.2612 -6 2 5 75.66 1.08 1.2569 -2 0 8 76.29 2.60 1.2481 3 4 0 76.99 2.61 1.2385 1 3 5 77.45 3.73 1.2323 2 4 2 78.14 1.39 1.2232 5 3 0 78.22 2.25 1.2221 4 3 2 78.88 3.55 1.2135 -6 1 7 79.58 1.28 1.2046 -6 2 6 80.68 1.89 1.1909 0 2 7 81.38 2.06 1.1824 -4 4 1 83.76 1.20 1.1549 4 4 0 84.14 1.43 1.1506 -6 0 8 84.19 2.29 1.1500 2 3 5 86.27 2.02 1.1275 7 1 0 86.37 1.42 1.1264 0 1 8 87.07 1.85 1.1192 -7 1 7 87.48 1.53 1.1150 -5 2 8 87.54 1.61 1.1144 -1 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.