Zoisite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050041 Comodi P, Zanazzi P F American Mineralogist 82 (1997) 61-68 The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = .001 kbar, room conditions CELL PARAMETERS: 16.2084 5.5561 10.0373 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Ca 0.36680 0.25000 0.43730 1.000 0.634 Ca 0.45180 0.25000 0.11500 1.000 0.821 Si 0.08130 0.25000 0.10550 1.000 0.355 Si 0.41050 0.75000 0.28240 1.000 0.379 Si 0.16000 0.25000 0.43570 1.000 0.366 Al 0.24970 0.99700 0.18970 1.000 0.387 Al 0.10550 0.75000 0.30040 0.880 0.447 Fe 0.10550 0.75000 0.30040 0.120 0.447 O 0.13070 -0.00060 0.14530 1.000 0.582 O 0.10110 0.01370 0.43090 1.000 0.616 O 0.35870 0.98970 0.24500 1.000 0.597 O 0.21930 0.75000 0.30040 1.000 0.505 O 0.22750 0.25000 0.31190 1.000 0.418 O 0.27180 0.75000 0.06000 1.000 0.442 O 0.99160 0.25000 0.16390 1.000 0.758 O 0.99600 0.75000 0.29520 1.000 0.913 O 0.42110 0.75000 0.44310 1.000 1.298 O 0.26820 0.25000 0.07540 1.000 0.661 H 0.26300 0.25000 0.97600 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 5 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 7.303576706 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.92 14.50 8.1042 2 0 0 17.67 28.48 5.0187 0 0 2 18.51 2.60 4.7941 1 0 2 19.06 6.97 4.6562 1 1 1 20.82 3.20 4.2668 2 0 2 21.93 14.41 4.0521 4 0 0 23.68 6.23 3.7575 4 0 1 24.20 13.02 3.6770 3 0 2 24.53 1.68 3.6297 1 1 2 24.64 29.29 3.6137 3 1 1 28.31 10.16 3.1527 4 0 2 28.68 5.57 3.1125 4 1 1 28.87 8.40 3.0926 2 0 3 28.94 15.17 3.0848 5 0 1 31.21 100.00 2.8662 0 1 3 31.70 17.63 2.8224 1 1 3 32.22 40.82 2.7780 0 2 0 32.89 32.19 2.7230 5 0 2 33.15 9.44 2.7022 2 1 3 33.16 22.57 2.7014 6 0 0 33.22 64.74 2.6970 5 1 1 33.94 2.32 2.6416 1 2 1 34.12 17.28 2.6279 2 2 0 34.38 1.62 2.6086 6 0 1 35.45 22.05 2.5320 3 1 3 35.78 1.33 2.5093 0 0 4 36.22 5.07 2.4798 1 0 4 36.76 1.72 2.4452 5 1 2 36.99 6.69 2.4305 0 2 2 37.41 25.20 2.4036 1 2 2 37.52 4.18 2.3970 2 0 4 37.82 1.56 2.3787 6 0 2 38.11 4.57 2.3613 6 1 1 38.47 17.16 2.3400 4 1 3 38.68 26.03 2.3281 2 2 2 39.81 3.82 2.2645 1 1 4 39.96 4.62 2.2562 7 0 1 40.38 11.37 2.2338 4 2 1 40.71 3.96 2.2166 3 2 2 42.67 7.31 2.1190 1 2 3 42.95 1.95 2.1060 3 1 4 43.04 8.73 2.1018 6 0 3 43.80 23.91 2.0667 2 2 3 43.86 20.79 2.0643 5 2 1 44.73 13.48 2.0261 8 0 0 45.55 1.92 1.9916 4 1 4 45.65 2.12 1.9875 3 2 3 45.68 5.73 1.9860 8 0 1 45.72 6.78 1.9843 5 0 4 46.16 3.91 1.9664 7 1 2 46.61 5.62 1.9486 2 0 5 46.71 13.74 1.9446 5 2 2 47.78 2.71 1.9034 8 1 0 48.45 4.69 1.8787 8 0 2 48.73 3.13 1.8687 5 1 4 48.91 1.14 1.8621 0 2 4 49.26 23.84 1.8500 1 2 4 49.58 4.31 1.8388 2 1 5 50.27 1.17 1.8148 2 2 4 51.94 2.16 1.7605 3 2 4 52.42 2.12 1.7454 6 1 4 53.06 3.63 1.7259 3 3 1 53.55 5.21 1.7114 4 1 5 54.10 2.00 1.6951 9 0 2 54.21 1.04 1.6920 4 2 4 54.32 7.55 1.6888 9 1 1 54.75 5.82 1.6765 7 2 2 54.88 1.85 1.6729 0 0 6 55.20 3.80 1.6640 1 0 6 56.19 3.09 1.6370 8 2 0 56.40 7.76 1.6315 5 1 5 56.78 8.55 1.6213 9 1 2 56.82 12.04 1.6203 0 3 3 57.04 24.15 1.6147 5 2 4 57.13 3.25 1.6123 1 3 3 57.17 2.18 1.6113 6 0 5 57.69 17.88 1.5980 3 0 6 58.05 1.57 1.5889 2 3 3 58.09 10.37 1.5878 5 3 1 59.39 1.95 1.5563 8 2 2 59.40 6.86 1.5560 10 1 0 59.57 3.73 1.5521 3 3 3 59.76 3.29 1.5475 6 1 5 59.81 5.58 1.5463 4 0 6 60.18 7.44 1.5376 10 1 1 61.11 1.11 1.5165 8 1 4 61.39 1.26 1.5101 6 3 1 61.65 2.90 1.5045 4 3 3 63.59 2.48 1.4632 7 1 5 63.59 4.84 1.4631 9 0 4 63.81 3.23 1.4587 10 0 3 64.03 1.05 1.4542 5 2 5 64.18 16.10 1.4511 7 2 4 64.39 5.79 1.4470 9 2 2 65.09 2.63 1.4331 0 2 6 65.37 10.55 1.4275 1 2 6 66.09 1.61 1.4138 11 0 2 66.22 1.23 1.4112 2 2 6 66.83 1.23 1.4000 10 2 0 67.42 24.92 1.3890 0 4 0 67.46 1.10 1.3884 0 1 7 67.63 2.13 1.3852 3 2 6 68.08 1.03 1.3772 9 2 3 68.57 1.20 1.3685 2 1 7 69.42 1.30 1.3539 5 3 4 69.74 16.21 1.3485 10 2 2 70.10 1.32 1.3424 2 3 5 70.21 1.34 1.3405 9 0 5 72.05 2.27 1.3107 5 2 6 73.30 8.94 1.2915 10 2 3 73.34 2.81 1.2909 11 2 1 73.37 1.66 1.2904 4 3 5 74.03 2.71 1.2806 9 3 1 74.32 1.54 1.2763 5 1 7 74.71 1.44 1.2706 11 0 4 74.73 1.09 1.2703 1 2 7 74.84 5.79 1.2686 8 2 5 74.99 1.28 1.2665 5 4 1 75.03 1.10 1.2660 6 2 6 75.37 1.07 1.2611 10 0 5 75.79 2.50 1.2551 5 3 5 75.82 2.37 1.2547 0 0 8 76.13 3.33 1.2504 9 3 2 76.89 2.43 1.2399 2 0 8 77.08 4.76 1.2373 5 4 2 77.23 2.80 1.2353 6 4 0 77.26 2.02 1.2349 6 1 7 78.18 1.93 1.2226 10 2 4 78.40 2.82 1.2197 10 3 0 78.49 1.07 1.2186 7 2 6 78.72 1.82 1.2156 6 3 5 78.91 1.90 1.2131 11 2 3 79.09 3.79 1.2108 10 3 1 79.37 3.01 1.2073 9 2 5 79.99 1.00 1.1995 6 4 2 80.70 1.32 1.1908 7 1 7 81.10 4.36 1.1859 5 2 7 82.14 1.04 1.1735 7 3 5 83.40 1.04 1.1588 6 4 3 84.59 2.34 1.1456 8 4 0 85.16 1.24 1.1393 10 1 6 85.29 1.23 1.1379 5 4 4 85.72 3.09 1.1334 14 1 0 85.94 1.00 1.1311 2 4 5 87.30 1.14 1.1169 8 4 2 87.50 1.75 1.1148 6 1 8 88.94 3.19 1.1005 4 2 8 89.03 2.26 1.0996 9 1 7 89.60 1.10 1.0941 14 0 3 89.92 2.72 1.0910 1 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.