Tuscanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050324 Mellini M, Merlino S, Rossi G American Mineralogist 62 (1977) 1114-1120 The crystal structure of tuscanite Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy CELL PARAMETERS: 24.0180 5.0974 10.8620 90.000 107.081 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) K 0.03650 0.74450 0.27130 0.510 2.504 Ca 0.19060 0.72360 0.18850 1.010 0.879 Ca 0.35540 0.72520 0.14720 0.900 1.029 Ca 0.30820 0.23960 0.45650 0.990 0.686 Si 0.43860 0.24030 0.07250 0.630 0.493 Al 0.43860 0.24030 0.07250 0.370 0.493 Si 0.44200 0.22960 0.35290 0.630 0.521 Al 0.44200 0.22960 0.35290 0.370 0.521 Si 0.42160 0.72560 0.47890 0.630 0.539 Al 0.42160 0.72560 0.47890 0.370 0.539 Si 0.16190 0.27240 0.35400 0.630 0.603 Al 0.16190 0.27240 0.35400 0.370 0.603 Si 0.07530 0.23510 0.08240 0.630 0.484 Al 0.07530 0.23510 0.08240 0.370 0.484 S 0.26920 0.19790 0.14030 0.950 0.632 O 0.09690 0.91790 0.05050 1.000 0.878 O 0.00700 0.22970 0.10030 1.000 1.341 O 0.41940 0.93540 0.04660 1.000 0.947 O 0.41910 0.34590 0.19480 1.000 0.869 O 0.41970 0.90160 0.35140 1.000 1.074 O 0.01610 0.24090 0.41520 1.000 1.511 O 0.40270 0.42280 0.43420 1.000 0.988 O 0.37100 0.85280 0.53620 1.000 1.057 O 0.22000 0.44820 0.39480 1.000 0.971 O 0.17020 -0.03510 0.35200 1.000 1.540 O 0.12310 0.38530 0.21550 1.000 0.898 O 0.20630 0.16330 0.08160 1.000 1.688 O 0.30240 0.14690 0.04890 1.000 1.649 O 0.28190 0.46390 0.19680 1.000 1.361 O 0.28710 0.00060 0.24580 1.000 1.535 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 21 +/- 4 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 4.520184059 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.70 48.16 11.4793 2 0 0 8.52 8.66 10.3829 0 0 1 9.66 3.27 9.1531 -2 0 1 15.29 7.96 5.7954 -4 0 1 15.44 6.98 5.7396 4 0 0 16.55 8.36 5.3578 -2 0 2 17.08 10.80 5.1914 0 0 2 19.05 1.05 4.6587 2 1 0 19.40 9.68 4.5766 -4 0 2 19.40 43.64 4.5757 0 1 1 19.75 26.60 4.4952 4 0 1 19.94 5.16 4.4534 -2 1 1 20.75 14.98 4.2815 2 0 2 20.94 1.93 4.2424 3 1 0 22.28 12.97 3.9908 -6 0 1 23.24 18.66 3.8275 -4 1 1 23.25 7.05 3.8264 6 0 0 23.34 9.78 3.8113 4 1 0 23.97 3.47 3.7124 -1 1 2 24.10 1.51 3.6930 -2 1 2 24.47 3.61 3.6372 0 1 2 24.51 2.79 3.6314 -6 0 2 24.59 4.03 3.6205 -2 0 3 25.64 1.91 3.4738 -5 1 1 25.74 16.07 3.4610 0 0 3 25.86 1.11 3.4449 -4 0 3 26.12 2.31 3.4116 5 1 0 26.31 22.49 3.3869 4 0 2 27.10 2.22 3.2905 6 0 1 27.20 13.80 3.2785 2 1 2 28.40 10.32 3.1423 -6 1 1 29.05 27.81 3.0735 2 0 3 29.18 90.13 3.0602 6 1 0 29.27 1.36 3.0510 -6 0 3 29.76 13.77 3.0018 -8 0 1 30.22 81.79 2.9576 -6 1 2 30.86 18.49 2.8977 -8 0 2 31.17 33.43 2.8698 8 0 0 31.24 80.74 2.8633 0 1 3 31.34 100.00 2.8542 -4 1 3 31.43 1.17 2.8459 -7 1 1 31.72 43.84 2.8210 4 1 2 32.38 9.47 2.7645 6 1 1 32.44 3.54 2.7601 1 1 3 32.46 1.66 2.7582 7 1 0 32.59 1.21 2.7479 -5 1 3 32.79 2.95 2.7313 -7 1 2 32.91 7.10 2.7219 6 0 2 33.07 3.41 2.7087 -2 0 4 33.45 1.57 2.6789 -4 0 4 34.23 4.23 2.6193 -8 0 3 34.25 3.53 2.6179 -6 1 3 34.46 3.18 2.6023 5 1 2 34.55 6.32 2.5957 0 0 4 34.79 4.97 2.5785 8 0 1 35.21 61.07 2.5487 0 2 0 35.64 1.43 2.5192 -6 0 4 35.64 1.45 2.5191 -8 1 2 35.91 5.79 2.5007 8 1 0 36.06 3.35 2.4905 3 1 3 36.10 2.83 2.4881 2 2 0 36.23 4.98 2.4795 -1 2 1 36.29 5.84 2.4755 -7 1 3 36.79 6.22 2.4428 1 2 1 37.18 13.12 2.4181 3 2 0 37.39 6.41 2.4049 -3 2 1 37.46 11.34 2.4010 6 1 2 37.56 9.29 2.3945 -3 1 4 37.60 2.93 2.3920 -2 1 4 37.94 8.47 2.3714 -4 1 4 38.07 9.87 2.3640 -1 1 4 38.39 2.26 2.3447 4 1 3 38.65 1.33 2.3297 -8 1 3 38.94 3.78 2.3131 0 1 4 39.24 3.11 2.2959 10 0 0 39.38 2.35 2.2883 -8 0 4 39.38 2.64 2.2879 0 2 2 40.19 11.43 2.2436 1 1 4 40.66 1.06 2.2192 7 1 2 40.69 2.32 2.2171 4 2 1 41.46 4.42 2.1777 -7 1 4 41.68 5.42 2.1669 -4 0 5 41.87 3.65 2.1574 -2 0 5 42.62 2.56 2.1212 6 2 0 42.76 2.01 2.1147 9 1 1 43.37 4.40 2.0862 -6 2 2 43.85 8.24 2.0645 6 1 3 44.13 10.33 2.0523 0 2 3 44.16 4.03 2.0508 -10 1 3 44.20 6.59 2.0489 -4 2 3 44.27 2.70 2.0458 -7 2 1 44.34 2.60 2.0431 -10 0 4 44.99 3.70 2.0149 6 2 1 45.03 1.12 2.0133 1 2 3 45.05 4.80 2.0125 7 2 0 45.36 2.09 1.9991 -11 1 1 45.43 1.17 1.9963 -11 1 2 45.45 14.50 1.9954 -12 0 2 45.48 2.49 1.9942 -4 1 5 45.52 2.69 1.9926 -9 1 4 45.62 6.54 1.9885 -12 0 1 45.98 2.31 1.9738 4 1 4 46.28 10.65 1.9619 2 2 3 46.42 9.21 1.9560 -6 2 3 46.59 1.56 1.9495 5 2 2 46.68 1.45 1.9458 2 0 5 46.74 5.06 1.9435 -6 1 5 46.92 1.24 1.9364 7 1 3 47.05 1.55 1.9315 11 1 0 47.27 2.17 1.9231 0 1 5 47.51 8.55 1.9138 -8 2 2 47.72 10.43 1.9057 8 2 0 47.79 8.33 1.9031 10 0 2 47.85 1.15 1.9011 3 2 3 47.97 1.78 1.8964 -10 1 4 48.96 8.61 1.8604 6 2 2 49.03 1.31 1.8581 -12 1 2 49.35 5.07 1.8467 -8 1 5 49.81 10.19 1.8306 -10 0 5 50.16 3.58 1.8186 0 2 4 50.18 11.87 1.8181 8 1 3 50.19 4.96 1.8178 2 1 5 50.25 1.69 1.8157 -12 0 4 50.41 12.41 1.8103 -4 0 6 50.52 6.88 1.8064 -12 1 3 50.97 2.82 1.7916 4 0 5 50.98 3.34 1.7912 12 1 0 51.02 5.18 1.7902 12 0 1 53.42 1.41 1.7151 -14 0 2 53.58 2.99 1.7104 -12 1 4 53.73 2.13 1.7059 -4 1 6 53.74 1.18 1.7058 10 2 0 54.03 2.94 1.6973 10 0 3 54.28 2.96 1.6901 6 2 3 54.31 1.72 1.6892 -2 1 6 54.31 1.76 1.6890 12 1 1 54.54 3.33 1.6826 -10 2 3 54.87 5.07 1.6731 -12 0 5 55.39 1.17 1.6587 3 3 0 55.71 1.34 1.6500 -9 2 4 55.78 1.53 1.6481 2 3 1 56.02 4.17 1.6416 2 0 6 56.07 1.03 1.6403 -5 2 5 56.08 3.47 1.6399 14 0 0 56.27 2.28 1.6349 6 0 5 56.39 1.63 1.6318 -8 1 6 56.41 1.40 1.6313 -10 0 6 56.43 1.25 1.6305 -4 3 1 56.77 2.05 1.6218 -6 2 5 57.16 4.27 1.6114 -14 1 1 57.22 2.83 1.6099 0 2 5 57.33 10.61 1.6071 8 1 4 58.44 2.71 1.5793 2 3 2 58.77 1.96 1.5712 -12 2 2 58.91 2.83 1.5678 -12 2 1 59.13 3.69 1.5625 2 1 6 59.19 7.51 1.5611 14 1 0 59.50 3.26 1.5536 -10 1 6 59.53 5.90 1.5529 6 3 0 59.59 2.51 1.5516 5 3 1 59.94 2.01 1.5432 11 2 1 60.01 3.70 1.5417 -14 1 4 60.12 5.72 1.5390 -6 3 2 60.16 1.08 1.5382 -2 3 3 60.55 1.86 1.5292 -2 0 7 60.68 1.15 1.5262 9 1 4 60.71 1.42 1.5255 -12 0 6 60.72 7.70 1.5252 0 3 3 60.74 3.61 1.5249 10 2 2 60.78 9.54 1.5239 -4 3 3 61.01 3.81 1.5187 4 3 2 61.03 1.68 1.5182 3 1 6 61.26 1.78 1.5132 10 0 4 61.35 6.37 1.5111 -8 0 7 61.44 2.21 1.5090 1 3 3 61.54 2.22 1.5070 -5 3 3 61.81 1.55 1.5009 -16 0 2 62.46 3.50 1.4868 -10 2 5 62.63 2.21 1.4833 0 0 7 62.98 7.16 1.4759 -4 2 6 63.47 1.12 1.4657 -8 3 2 63.50 1.08 1.4651 7 3 1 63.51 2.68 1.4649 12 2 1 64.30 1.03 1.4488 -8 1 7 64.41 2.80 1.4465 14 0 2 64.67 4.23 1.4414 6 3 2 64.77 1.83 1.4394 -2 3 4 64.86 1.05 1.4376 12 1 3 65.00 5.64 1.4349 -4 3 4 65.27 3.43 1.4295 -16 1 3 65.30 3.73 1.4289 4 3 3 65.48 2.29 1.4255 -8 3 3 65.68 6.33 1.4216 0 3 4 66.36 3.69 1.4087 -6 3 4 66.50 1.07 1.4061 -14 2 3 66.90 3.00 1.3987 -12 2 5 67.17 3.51 1.3937 -16 1 4 67.29 1.80 1.3915 14 1 2 67.85 3.42 1.3812 16 1 0 67.92 4.81 1.3801 2 2 6 68.14 1.88 1.3761 6 2 5 68.24 1.83 1.3743 6 1 6 69.28 1.49 1.3562 -6 0 8 69.35 1.19 1.3551 -17 1 3 69.39 1.25 1.3544 -4 0 8 70.02 1.02 1.3437 4 0 7 70.38 1.66 1.3377 14 0 3 70.39 6.59 1.3376 -16 1 5 70.76 1.34 1.3314 -5 3 5 70.83 1.11 1.3303 -18 0 3 71.72 1.06 1.3160 4 2 6 72.02 2.31 1.3113 -2 2 7 72.06 1.04 1.3106 -6 1 8 72.14 3.80 1.3093 10 1 5 72.17 2.30 1.3090 -4 1 8 72.31 2.55 1.3067 -18 0 4 72.35 2.18 1.3061 -10 0 8 72.67 1.22 1.3012 10 2 4 72.75 2.75 1.2998 -8 2 7 73.18 1.21 1.2933 -16 2 2 73.35 1.89 1.2907 -2 1 8 74.07 1.03 1.2799 8 3 3 74.35 1.25 1.2758 -12 3 3 74.45 4.27 1.2744 0 4 0 74.58 3.17 1.2724 1 4 0 74.61 3.35 1.2720 -18 1 1 75.08 2.92 1.2652 -10 1 8 75.20 1.19 1.2636 6 0 7 75.59 3.81 1.2580 14 2 2 75.61 2.79 1.2577 0 1 8 76.13 2.44 1.2504 16 2 0 76.84 1.98 1.2406 -12 3 4 76.86 1.76 1.2403 9 3 3 77.43 2.22 1.2325 14 0 4 77.44 1.33 1.2325 -2 3 6 77.44 1.36 1.2324 12 3 1 77.78 1.51 1.2279 -18 1 5 77.85 1.82 1.2270 -16 0 7 79.99 3.27 1.1995 8 3 4 80.51 1.10 1.1930 -7 2 8 80.92 1.03 1.1880 1 4 3 81.02 2.05 1.1868 10 1 6 81.11 1.17 1.1857 -8 2 8 81.21 1.32 1.1845 14 2 3 81.54 1.86 1.1806 2 3 6 81.59 4.08 1.1800 14 3 0 81.64 2.97 1.1793 -18 2 3 81.78 1.78 1.1777 -18 1 6 81.86 1.45 1.1767 -10 3 6 82.30 1.01 1.1715 -14 3 4 82.89 2.34 1.1647 8 4 0 83.10 1.83 1.1623 -10 2 8 83.82 1.17 1.1541 6 4 2 83.98 1.78 1.1523 -2 1 9 85.13 1.13 1.1397 4 3 6 85.55 1.89 1.1351 -12 3 6 86.11 1.03 1.1292 -12 2 8 86.51 1.15 1.1250 -10 4 1 86.62 1.77 1.1238 12 3 3 87.00 2.12 1.1200 -16 3 3 87.35 1.19 1.1164 -16 1 8 88.02 1.94 1.1096 14 2 4 88.42 1.81 1.1056 -16 2 7 89.27 1.46 1.0972 -2 4 5 89.32 1.18 1.0968 18 0 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.