Zoisite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060567 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: 16.2035 5.5508 10.0378 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: 7.316492564 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.92 14.50 8.1018 2 0 0 17.67 28.51 5.0189 0 0 2 18.51 2.61 4.7942 1 0 2 19.07 6.96 4.6530 1 1 1 20.82 3.21 4.2666 2 0 2 21.94 14.41 4.0509 4 0 0 23.68 6.23 3.7565 4 0 1 24.21 13.02 3.6766 3 0 2 24.54 1.68 3.6283 1 1 2 24.65 29.27 3.6118 3 1 1 28.31 10.16 3.1522 4 0 2 28.69 5.57 3.1111 4 1 1 28.87 8.41 3.0926 2 0 3 28.95 15.17 3.0840 5 0 1 31.21 100.00 2.8656 0 1 3 31.71 17.63 2.8218 1 1 3 32.25 40.73 2.7754 0 2 0 32.90 32.19 2.7225 5 0 2 33.16 9.44 2.7016 2 1 3 33.17 22.56 2.7006 6 0 0 33.23 64.69 2.6958 5 1 1 33.97 2.32 2.6393 1 2 1 34.15 17.25 2.6256 2 2 0 34.39 1.62 2.6078 6 0 1 35.46 22.05 2.5314 3 1 3 35.78 1.33 2.5094 0 0 4 36.22 5.07 2.4799 1 0 4 36.77 1.72 2.4443 5 1 2 37.01 6.68 2.4288 0 2 2 37.44 25.16 2.4019 1 2 2 37.52 4.18 2.3971 2 0 4 37.83 1.56 2.3782 6 0 2 38.13 4.57 2.3603 6 1 1 38.48 17.16 2.3394 4 1 3 38.70 25.98 2.3265 2 2 2 39.81 3.82 2.2642 1 1 4 39.97 4.62 2.2556 7 0 1 40.41 11.34 2.2322 4 2 1 40.73 3.96 2.2151 3 2 2 42.69 7.30 2.1178 1 2 3 42.95 1.95 2.1057 3 1 4 43.04 8.73 2.1015 6 0 3 43.83 23.88 2.0656 2 2 3 43.89 20.75 2.0630 5 2 1 44.74 13.47 2.0254 8 0 0 45.55 1.92 1.9913 4 1 4 45.67 2.12 1.9864 3 2 3 45.70 5.73 1.9854 8 0 1 45.73 6.78 1.9841 5 0 4 46.18 3.91 1.9658 7 1 2 46.61 5.63 1.9486 2 0 5 46.74 13.72 1.9435 5 2 2 47.80 2.71 1.9027 8 1 0 48.47 4.69 1.8783 8 0 2 48.74 3.13 1.8684 5 1 4 48.93 1.14 1.8614 0 2 4 49.28 23.82 1.8492 1 2 4 49.58 4.31 1.8386 2 1 5 50.30 1.17 1.8141 2 2 4 51.96 2.16 1.7598 3 2 4 52.43 2.12 1.7451 6 1 4 53.11 3.62 1.7244 3 3 1 53.55 5.21 1.7112 4 1 5 54.12 2.00 1.6947 9 0 2 54.23 1.04 1.6914 4 2 4 54.34 7.55 1.6882 9 1 1 54.78 5.82 1.6757 7 2 2 54.88 1.85 1.6730 0 0 6 55.20 3.81 1.6641 1 0 6 56.22 3.09 1.6361 8 2 0 56.41 7.77 1.6313 5 1 5 56.80 8.54 1.6208 9 1 2 56.86 12.02 1.6192 0 3 3 57.06 24.13 1.6141 5 2 4 57.17 3.24 1.6112 1 3 3 57.17 2.18 1.6112 6 0 5 57.69 17.90 1.5981 3 0 6 58.09 1.57 1.5878 2 3 3 58.14 10.35 1.5866 5 3 1 59.42 1.95 1.5555 8 2 2 59.42 6.85 1.5554 10 1 0 59.61 3.73 1.5510 3 3 3 59.77 3.29 1.5473 6 1 5 59.81 5.58 1.5463 4 0 6 60.20 7.44 1.5371 10 1 1 61.12 1.11 1.5162 8 1 4 61.44 1.26 1.5090 6 3 1 61.69 2.89 1.5035 4 3 3 63.60 2.48 1.4630 7 1 5 63.61 4.84 1.4628 9 0 4 63.83 3.22 1.4583 10 0 3 64.05 1.05 1.4538 5 2 5 64.21 16.09 1.4506 7 2 4 64.42 5.78 1.4463 9 2 2 65.10 2.62 1.4328 0 2 6 65.39 10.55 1.4272 1 2 6 66.11 1.61 1.4134 11 0 2 66.24 1.23 1.4109 2 2 6 66.86 1.23 1.3993 10 2 0 67.46 1.10 1.3884 0 1 7 67.50 24.84 1.3877 0 4 0 67.65 2.13 1.3849 3 2 6 68.11 1.03 1.3767 9 2 3 68.58 1.20 1.3684 2 1 7 69.46 1.30 1.3532 5 3 4 69.77 16.20 1.3479 10 2 2 70.14 1.32 1.3418 2 3 5 70.22 1.34 1.3403 9 0 5 72.07 2.26 1.3104 5 2 6 73.33 8.93 1.2910 10 2 3 73.38 2.80 1.2903 11 2 1 73.41 1.65 1.2897 4 3 5 74.08 2.71 1.2798 9 3 1 74.32 1.54 1.2762 5 1 7 74.72 1.44 1.2704 11 0 4 74.75 1.09 1.2701 1 2 7 74.87 5.79 1.2683 8 2 5 75.05 1.10 1.2657 6 2 6 75.06 1.28 1.2655 5 4 1 75.38 1.07 1.2609 10 0 5 75.82 2.37 1.2547 0 0 8 75.84 2.50 1.2545 5 3 5 76.18 3.33 1.2497 9 3 2 76.89 2.43 1.2399 2 0 8 77.15 4.75 1.2364 5 4 2 77.27 2.02 1.2348 6 1 7 77.30 2.79 1.2343 6 4 0 78.22 1.93 1.2222 10 2 4 78.46 2.82 1.2190 10 3 0 78.51 1.07 1.2183 7 2 6 78.76 1.82 1.2151 6 3 5 78.95 1.90 1.2127 11 2 3 79.15 3.78 1.2101 10 3 1 79.39 3.00 1.2070 9 2 5 80.06 1.00 1.1986 6 4 2 80.70 1.32 1.1906 7 1 7 81.11 4.36 1.1856 5 2 7 82.18 1.04 1.1729 7 3 5 83.48 1.03 1.1580 6 4 3 84.66 2.34 1.1448 8 4 0 85.18 1.24 1.1391 10 1 6 85.36 1.23 1.1372 5 4 4 85.75 3.09 1.1330 14 1 0 86.00 1.00 1.1304 2 4 5 87.37 1.14 1.1161 8 4 2 87.51 1.75 1.1147 6 1 8 88.95 3.20 1.1003 4 2 8 89.04 2.26 1.0994 9 1 7 89.63 1.10 1.0938 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.