Clinozoisite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040085 Comodi P, Zanazzi P F American Mineralogist 82 (1997) 61-68 The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: at room pressure CELL PARAMETERS: 8.8783 5.6065 10.1520 90.000 115.448 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.76060 0.75000 0.15460 1.000 0.664 Ca 0.60680 0.75000 0.42350 1.000 0.843 Si 0.33850 0.75000 0.04810 1.000 0.349 Si 0.67910 0.25000 0.27520 1.000 0.374 Si 0.18260 0.75000 0.31640 1.000 0.346 Al 0.00000 0.00000 0.00000 1.000 0.399 Al 0.00000 0.00000 0.50000 1.000 0.403 Al 0.28930 0.25000 0.22390 0.790 0.457 Fe 0.28930 0.25000 0.22390 0.210 0.457 O 0.23440 0.99640 0.04460 1.000 0.588 O 0.30110 0.98520 0.35220 1.000 0.598 O 0.78930 0.01290 0.34540 1.000 0.670 O 0.05430 0.25000 0.13160 1.000 0.456 O 0.03960 0.75000 0.14320 1.000 0.461 O 0.06100 0.75000 0.40150 1.000 0.489 O 0.51670 0.75000 0.17820 1.000 0.709 O 0.51220 0.25000 0.29760 1.000 0.882 O 0.63840 0.25000 0.10330 1.000 1.282 O 0.07700 0.25000 0.42460 1.000 0.489 H 0.05300 0.25000 0.35100 1.000 3.948 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: 8.233621846 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.04 9.56 8.0169 1 0 0 17.69 26.54 5.0143 -1 0 2 18.55 3.69 4.7829 0 1 1 19.36 1.47 4.5845 -1 1 1 22.18 16.19 4.0084 2 0 0 22.33 13.61 3.9821 -2 0 2 23.70 6.62 3.7538 1 1 1 25.60 28.63 3.4802 -2 1 1 26.22 11.28 3.3992 1 0 2 27.86 14.94 3.2022 2 0 1 28.10 2.06 3.1754 -2 0 3 29.23 4.20 3.0557 0 0 3 30.56 1.45 2.9254 -3 0 1 30.64 18.68 2.9177 -3 0 2 30.90 100.00 2.8941 -1 1 3 31.93 37.99 2.8033 0 2 0 32.19 14.74 2.7806 2 1 1 32.40 2.39 2.7630 -2 1 3 33.40 27.40 2.6830 0 1 3 33.53 17.64 2.6723 3 0 0 33.88 17.67 2.6461 1 2 0 33.90 1.02 2.6442 -1 2 1 34.58 39.22 2.5935 -3 1 1 34.66 1.22 2.5882 -3 1 2 35.53 15.38 2.5269 2 0 2 35.83 5.40 2.5064 -1 0 4 36.73 12.98 2.4468 -1 2 2 37.48 26.67 2.3994 -3 1 3 37.61 22.62 2.3914 0 2 2 37.96 5.91 2.3702 -2 2 1 39.10 1.04 2.3037 2 1 2 39.22 3.97 2.2969 1 1 3 39.31 14.51 2.2922 -2 2 2 39.37 1.89 2.2887 -2 1 4 39.38 1.80 2.2882 -1 1 4 41.79 12.82 2.1613 -4 0 1 41.87 4.72 2.1575 -1 2 3 41.96 2.87 2.1530 -4 0 3 42.62 2.19 2.1214 0 1 4 42.88 20.53 2.1092 2 2 1 43.04 16.35 2.1015 -2 2 3 43.83 13.59 2.0657 0 2 3 43.87 2.12 2.0637 -4 1 2 44.33 6.80 2.0434 2 0 3 44.78 3.45 2.0240 -3 2 1 44.84 3.12 2.0214 -3 2 2 45.24 7.27 2.0042 4 0 0 45.61 1.84 1.9892 1 0 4 45.78 1.69 1.9819 -1 0 5 46.49 2.84 1.9532 -3 0 5 47.15 1.23 1.9276 -3 2 3 47.35 1.75 1.9198 2 1 3 48.50 8.51 1.8769 2 2 2 48.56 5.51 1.8747 1 1 4 48.73 14.81 1.8688 -2 2 4 48.73 3.52 1.8686 -1 1 5 48.74 5.36 1.8685 -1 2 4 49.02 3.21 1.8582 3 1 2 51.51 2.46 1.7743 0 2 4 51.68 3.79 1.7688 -5 0 2 52.18 1.10 1.7528 1 3 1 52.51 2.17 1.7426 0 1 5 52.59 1.79 1.7401 -4 2 2 53.18 3.21 1.7224 -2 3 1 53.80 6.71 1.7040 -4 1 5 53.95 1.57 1.6996 2 0 4 54.30 3.12 1.6896 -2 0 6 54.39 3.53 1.6868 -5 1 2 54.48 1.14 1.6843 -5 1 3 54.93 3.10 1.6714 -3 0 6 56.06 1.29 1.6406 1 0 5 56.24 9.85 1.6356 -1 0 6 56.25 11.80 1.6354 -1 3 3 56.28 13.19 1.6347 -5 1 1 56.44 3.67 1.6304 4 2 0 56.59 1.88 1.6265 2 1 4 56.71 13.63 1.6233 -4 2 4 56.75 8.09 1.6222 1 2 4 57.06 2.22 1.6141 2 3 1 57.16 3.64 1.6115 3 2 2 57.83 4.64 1.5943 0 3 3 58.10 12.42 1.5877 -4 0 6 58.62 7.77 1.5749 -3 3 1 58.63 6.49 1.5746 1 1 5 60.01 4.53 1.5416 5 1 0 60.10 5.19 1.5395 4 1 2 60.59 4.54 1.5282 -3 3 3 61.50 2.13 1.5079 -4 2 5 62.04 1.40 1.4959 -5 2 2 63.80 3.92 1.4588 -6 0 4 63.87 1.38 1.4575 3 0 4 64.02 10.59 1.4544 -5 2 4 64.07 3.47 1.4533 2 2 4 64.38 4.81 1.4471 -2 2 6 64.54 1.06 1.4439 3 2 3 64.96 8.05 1.4356 -3 2 6 65.80 1.68 1.4194 4 0 3 66.70 3.22 1.4024 2 1 5 66.74 22.74 1.4016 0 4 0 67.06 1.56 1.3956 -2 1 7 67.27 1.91 1.3918 5 2 0 67.35 15.27 1.3903 4 2 2 67.84 1.15 1.3815 -4 2 6 68.95 2.11 1.3620 1 3 4 70.00 1.87 1.3441 5 0 2 70.15 3.20 1.3415 0 2 6 72.19 1.95 1.3086 -6 2 3 72.89 1.12 1.2977 -5 2 6 72.95 3.59 1.2968 -6 2 2 73.13 2.48 1.2941 -6 2 4 73.25 2.22 1.2922 -4 3 5 73.76 1.71 1.2846 -5 3 2 73.80 1.22 1.2840 2 4 1 74.25 1.48 1.2773 3 0 5 74.39 2.06 1.2752 0 1 7 74.82 2.46 1.2690 -3 0 8 75.00 5.04 1.2663 4 2 3 75.20 1.18 1.2634 4 0 4 75.21 2.20 1.2634 -3 4 2 75.36 5.61 1.2611 -5 3 1 75.39 1.49 1.2608 -6 2 1 75.52 1.13 1.2589 2 0 6 75.74 5.86 1.2558 -6 2 5 75.93 1.60 1.2532 -2 0 8 76.79 2.48 1.2413 3 4 0 77.41 2.72 1.2329 1 3 5 77.95 3.44 1.2257 2 4 2 78.13 1.00 1.2233 -1 4 4 78.62 1.98 1.2169 5 3 0 78.70 1.85 1.2159 4 3 2 79.22 3.17 1.2092 -6 1 7 81.05 3.34 1.1865 0 2 7 81.92 1.60 1.1760 -4 4 1 84.32 1.39 1.1486 4 4 0 84.48 1.19 1.1468 -6 0 8 84.66 1.52 1.1448 2 3 5 86.74 1.08 1.1227 0 1 8 86.79 2.86 1.1221 7 1 0 87.48 1.97 1.1150 -7 1 7 87.87 1.79 1.1111 -5 2 8 87.93 1.40 1.1105 -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.