Zoisite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050038 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: 16.2133 5.5576 10.0414 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: 7.297321938 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.91 14.49 8.1067 2 0 0 17.67 28.48 5.0207 0 0 2 18.50 2.60 4.7960 1 0 2 19.05 6.97 4.6576 1 1 1 20.81 3.20 4.2684 2 0 2 21.93 14.41 4.0533 4 0 0 23.67 6.23 3.7587 4 0 1 24.20 13.02 3.6784 3 0 2 24.52 1.68 3.6309 1 1 2 24.63 29.28 3.6148 3 1 1 28.30 10.16 3.1538 4 0 2 28.67 5.57 3.1135 4 1 1 28.86 8.40 3.0938 2 0 3 28.94 15.17 3.0858 5 0 1 31.19 100.00 2.8673 0 1 3 31.69 17.63 2.8235 1 1 3 32.21 40.81 2.7788 0 2 0 32.88 32.19 2.7239 5 0 2 33.14 9.44 2.7032 2 1 3 33.15 22.57 2.7022 6 0 0 33.21 64.72 2.6978 5 1 1 33.93 2.32 2.6423 1 2 1 34.11 17.28 2.6287 2 2 0 34.37 1.62 2.6094 6 0 1 35.44 22.05 2.5329 3 1 3 35.77 1.33 2.5103 0 0 4 36.21 5.07 2.4808 1 0 4 36.74 1.72 2.4459 5 1 2 36.97 6.69 2.4313 0 2 2 37.40 25.20 2.4044 1 2 2 37.51 4.18 2.3980 2 0 4 37.81 1.56 2.3795 6 0 2 38.10 4.57 2.3620 6 1 1 38.46 17.16 2.3408 4 1 3 38.66 26.02 2.3288 2 2 2 39.79 3.82 2.2653 1 1 4 39.95 4.62 2.2569 7 0 1 40.37 11.37 2.2345 4 2 1 40.69 3.96 2.2172 3 2 2 42.65 7.31 2.1197 1 2 3 42.93 1.95 2.1068 3 1 4 43.02 8.73 2.1025 6 0 3 43.79 23.92 2.0673 2 2 3 43.84 20.79 2.0649 5 2 1 44.72 13.48 2.0267 8 0 0 45.53 1.92 1.9923 4 1 4 45.63 2.12 1.9881 3 2 3 45.67 5.73 1.9866 8 0 1 45.71 6.78 1.9850 5 0 4 46.15 3.91 1.9670 7 1 2 46.59 5.63 1.9494 2 0 5 46.70 13.74 1.9452 5 2 2 47.77 2.71 1.9040 8 1 0 48.44 4.69 1.8793 8 0 2 48.71 3.13 1.8694 5 1 4 48.89 1.14 1.8628 0 2 4 49.24 23.84 1.8506 1 2 4 49.56 4.31 1.8395 2 1 5 50.26 1.17 1.8155 2 2 4 51.92 2.16 1.7611 3 2 4 52.40 2.12 1.7461 6 1 4 53.05 3.63 1.7263 3 3 1 53.53 5.21 1.7120 4 1 5 54.08 2.00 1.6956 9 0 2 54.19 1.04 1.6926 4 2 4 54.31 7.55 1.6893 9 1 1 54.74 5.82 1.6770 7 2 2 54.86 1.85 1.6736 0 0 6 55.17 3.80 1.6647 1 0 6 56.17 3.09 1.6374 8 2 0 56.37 7.77 1.6321 5 1 5 56.76 8.55 1.6218 9 1 2 56.80 12.04 1.6208 0 3 3 57.02 24.15 1.6152 5 2 4 57.11 3.25 1.6128 1 3 3 57.15 2.18 1.6119 6 0 5 57.66 17.89 1.5987 3 0 6 58.03 1.57 1.5894 2 3 3 58.07 10.37 1.5883 5 3 1 59.37 1.95 1.5567 8 2 2 59.38 6.86 1.5564 10 1 0 59.55 3.73 1.5525 3 3 3 59.73 3.29 1.5481 6 1 5 59.78 5.58 1.5469 4 0 6 60.16 7.44 1.5381 10 1 1 61.09 1.11 1.5170 8 1 4 61.37 1.26 1.5106 6 3 1 61.63 2.90 1.5050 4 3 3 63.56 2.48 1.4638 7 1 5 63.57 4.84 1.4636 9 0 4 63.79 3.23 1.4592 10 0 3 64.00 1.05 1.4547 5 2 5 64.16 16.11 1.4516 7 2 4 64.36 5.79 1.4474 9 2 2 65.06 2.63 1.4336 0 2 6 65.34 10.55 1.4281 1 2 6 66.06 1.61 1.4143 11 0 2 66.20 1.23 1.4117 2 2 6 66.80 1.23 1.4004 10 2 0 67.40 24.93 1.3894 0 4 0 67.43 1.10 1.3890 0 1 7 67.61 2.13 1.3857 3 2 6 68.06 1.03 1.3776 9 2 3 68.54 1.20 1.3690 2 1 7 69.39 1.30 1.3544 5 3 4 69.71 16.22 1.3489 10 2 2 70.07 1.32 1.3429 2 3 5 70.18 1.34 1.3410 9 0 5 72.02 2.27 1.3112 5 2 6 73.27 8.94 1.2919 10 2 3 73.31 2.81 1.2913 11 2 1 73.35 1.66 1.2908 4 3 5 74.00 2.71 1.2810 9 3 1 74.29 1.54 1.2768 5 1 7 74.68 1.44 1.2710 11 0 4 74.70 1.09 1.2707 1 2 7 74.81 5.80 1.2691 8 2 5 74.96 1.28 1.2669 5 4 1 75.00 1.10 1.2664 6 2 6 75.34 1.07 1.2615 10 0 5 75.77 2.50 1.2555 5 3 5 75.79 2.37 1.2552 0 0 8 76.10 3.33 1.2508 9 3 2 76.85 2.43 1.2404 2 0 8 77.05 4.76 1.2377 5 4 2 77.20 2.80 1.2356 6 4 0 77.23 2.02 1.2353 6 1 7 78.15 1.93 1.2230 10 2 4 78.38 2.82 1.2201 10 3 0 78.46 1.07 1.2190 7 2 6 78.69 1.82 1.2160 6 3 5 78.88 1.90 1.2135 11 2 3 79.07 3.79 1.2111 10 3 1 79.33 3.01 1.2077 9 2 5 79.96 1.00 1.1998 6 4 2 80.66 1.32 1.1912 7 1 7 81.06 4.37 1.1863 5 2 7 82.10 1.04 1.1738 7 3 5 83.37 1.04 1.1592 6 4 3 84.56 2.34 1.1460 8 4 0 85.13 1.24 1.1397 10 1 6 85.26 1.23 1.1383 5 4 4 85.68 3.09 1.1337 14 1 0 85.90 1.00 1.1314 2 4 5 87.26 1.14 1.1172 8 4 2 87.46 1.75 1.1152 6 1 8 88.90 3.19 1.1009 4 2 8 88.99 2.26 1.1000 9 1 7 89.56 1.10 1.0944 14 0 3 89.88 2.72 1.0914 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.