Tuscanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060605 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: 24.0500 5.0940 10.8510 90.000 106.960 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) K 0.03650 0.74450 0.27130 0.510 2.506 Ca 0.19060 0.72360 0.18850 1.010 0.879 Ca 0.35540 0.72520 0.14720 0.900 1.030 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 0.522 Al 0.44200 0.22960 0.35290 0.370 0.522 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 0.604 Al 0.16190 0.27240 0.35400 0.370 0.604 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 0.948 O 0.41910 0.34590 0.19480 1.000 0.870 O 0.41970 0.90160 0.35140 1.000 1.075 O 0.01610 0.24090 0.41520 1.000 1.510 O 0.40270 0.42280 0.43420 1.000 0.989 O 0.37100 0.85280 0.53620 1.000 1.058 O 0.22000 0.44820 0.39480 1.000 0.971 O 0.17020 -0.03510 0.35200 1.000 1.543 O 0.12310 0.38530 0.21550 1.000 0.898 O 0.20630 0.16330 0.08160 1.000 1.687 O 0.30240 0.14690 0.04890 1.000 1.649 O 0.28190 0.46390 0.19680 1.000 1.362 O 0.28710 0.00060 0.24580 1.000 1.537 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: 4.503748922 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.69 48.51 11.5020 2 0 0 8.52 8.68 10.3791 0 0 1 9.67 3.28 9.1460 -2 0 1 15.28 8.00 5.7983 -4 0 1 15.41 7.04 5.7510 4 0 0 16.56 8.36 5.3516 -2 0 2 17.09 10.83 5.1895 0 0 2 19.05 1.06 4.6577 2 1 0 19.41 9.68 4.5730 -4 0 2 19.41 43.70 4.5729 0 1 1 19.71 26.83 4.5041 4 0 1 19.95 5.16 4.4503 -2 1 1 20.73 15.06 4.2849 2 0 2 20.94 1.93 4.2431 3 1 0 22.25 13.05 3.9952 -6 0 1 23.20 7.11 3.8340 6 0 0 23.24 18.70 3.8269 -4 1 1 23.33 9.82 3.8132 4 1 0 23.99 3.47 3.7095 -1 1 2 24.12 1.51 3.6897 -2 1 2 24.49 3.61 3.6353 0 1 2 24.51 2.80 3.6312 -6 0 2 24.61 4.03 3.6168 -2 0 3 25.64 1.92 3.4743 -5 1 1 25.75 16.10 3.4597 0 0 3 25.89 1.11 3.4409 -4 0 3 26.10 2.32 3.4143 5 1 0 26.27 22.66 3.3920 4 0 2 27.04 2.24 3.2974 6 0 1 27.20 13.85 3.2791 2 1 2 28.39 10.36 3.1437 -6 1 1 29.04 27.93 3.0749 2 0 3 29.15 90.67 3.0633 6 1 0 29.29 1.36 3.0487 -6 0 3 29.72 13.87 3.0059 -8 0 1 30.23 81.97 2.9569 -6 1 2 30.84 18.58 2.8991 -8 0 2 31.10 33.72 2.8755 8 0 0 31.25 80.87 2.8620 0 1 3 31.37 100.00 2.8514 -4 1 3 31.41 1.17 2.8477 -7 1 1 31.69 44.08 2.8233 4 1 2 32.34 9.53 2.7681 6 1 1 32.42 1.67 2.7615 7 1 0 32.44 3.55 2.7597 1 1 3 32.62 1.21 2.7454 -5 1 3 32.79 2.96 2.7312 -7 1 2 32.84 7.16 2.7269 6 0 2 33.10 3.41 2.7063 -2 0 4 33.49 1.57 2.6758 -4 0 4 34.24 4.24 2.6185 -8 0 3 34.28 3.53 2.6160 -6 1 3 34.43 3.20 2.6051 5 1 2 34.57 6.33 2.5948 0 0 4 34.72 5.02 2.5840 8 0 1 35.24 61.13 2.5470 0 2 0 35.63 1.46 2.5197 -8 1 2 35.68 1.43 2.5165 -6 0 4 35.86 5.83 2.5041 8 1 0 36.05 3.37 2.4916 3 1 3 36.12 2.83 2.4868 2 2 0 36.25 4.98 2.4778 -1 2 1 36.31 5.84 2.4741 -7 1 3 36.81 6.22 2.4415 1 2 1 37.20 13.14 2.4171 3 2 0 37.41 11.41 2.4041 6 1 2 37.42 6.42 2.4035 -3 2 1 37.60 9.28 2.3922 -3 1 4 37.64 2.93 2.3899 -2 1 4 37.98 8.47 2.3689 -4 1 4 38.09 9.88 2.3624 -1 1 4 38.36 2.27 2.3464 4 1 3 38.66 1.33 2.3289 -8 1 3 38.95 3.79 2.3121 0 1 4 39.16 3.15 2.3004 10 0 0 39.41 2.35 2.2865 -8 0 4 39.41 2.64 2.2865 0 2 2 40.20 11.46 2.2432 1 1 4 40.59 1.07 2.2224 7 1 2 40.70 2.33 2.2171 4 2 1 41.50 4.42 2.1758 -7 1 4 41.73 5.42 2.1645 -4 0 5 41.91 3.65 2.1557 -2 0 5 42.62 2.57 2.1215 6 2 0 42.69 2.03 2.1182 9 1 1 43.40 4.40 2.0852 -6 2 2 43.80 8.30 2.0668 6 1 3 44.15 10.34 2.0511 0 2 3 44.16 4.05 2.0509 -10 1 3 44.24 6.59 2.0472 -4 2 3 44.27 2.71 2.0458 -7 2 1 44.36 2.61 2.0423 -10 0 4 44.97 3.72 2.0157 6 2 1 45.03 4.83 2.0131 7 2 0 45.05 1.12 2.0125 1 2 3 45.31 2.11 2.0016 -11 1 1 45.40 1.18 1.9977 -11 1 2 45.40 14.60 1.9976 -12 0 2 45.53 2.49 1.9921 -4 1 5 45.54 6.60 1.9917 -12 0 1 45.55 2.70 1.9914 -9 1 4 45.95 2.32 1.9749 4 1 4 46.29 10.68 1.9615 2 2 3 46.46 9.21 1.9546 -6 2 3 46.57 1.57 1.9501 5 2 2 46.68 1.45 1.9460 2 0 5 46.79 5.06 1.9413 -6 1 5 46.86 1.25 1.9389 7 1 3 46.97 1.57 1.9346 11 1 0 47.29 2.17 1.9223 0 1 5 47.52 8.57 1.9135 -8 2 2 47.69 8.42 1.9070 10 0 2 47.70 10.48 1.9066 8 2 0 47.85 1.15 1.9011 3 2 3 47.99 1.79 1.8956 -10 1 4 48.93 8.65 1.8613 6 2 2 48.98 1.32 1.8597 -12 1 2 49.40 5.07 1.8449 -8 1 5 49.85 10.19 1.8292 -10 0 5 50.10 11.97 1.8207 8 1 3 50.18 4.98 1.8179 2 1 5 50.19 3.59 1.8177 0 2 4 50.25 1.70 1.8156 -12 0 4 50.47 12.40 1.8084 -4 0 6 50.51 6.91 1.8071 -12 1 3 50.89 3.38 1.7942 12 1 0 50.90 5.24 1.7940 12 0 1 50.94 2.84 1.7927 4 0 5 53.35 1.42 1.7173 -14 0 2 53.59 3.00 1.7102 -12 1 4 53.69 1.19 1.7072 10 2 0 53.79 2.13 1.7042 -4 1 6 53.92 2.98 1.7005 10 0 3 54.21 1.77 1.6921 12 1 1 54.24 2.98 1.6910 6 2 3 54.35 1.72 1.6880 -2 1 6 54.55 3.33 1.6823 -10 2 3 54.90 5.08 1.6723 -12 0 5 55.42 1.17 1.6578 3 3 0 55.75 1.34 1.6490 -9 2 4 55.81 1.53 1.6472 2 3 1 55.96 3.51 1.6431 14 0 0 56.02 4.18 1.6416 2 0 6 56.13 1.03 1.6387 -5 2 5 56.21 2.29 1.6365 6 0 5 56.45 1.63 1.6300 -8 1 6 56.47 1.40 1.6296 -10 0 6 56.47 1.25 1.6296 -4 3 1 56.83 2.05 1.6202 -6 2 5 57.07 4.30 1.6138 -14 1 1 57.25 10.69 1.6091 8 1 4 57.25 2.83 1.6091 0 2 5 58.47 2.72 1.5786 2 3 2 58.74 1.97 1.5718 -12 2 2 58.86 2.85 1.5690 -12 2 1 59.07 7.58 1.5638 14 1 0 59.13 3.71 1.5625 2 1 6 59.54 5.91 1.5526 6 3 0 59.56 3.25 1.5521 -10 1 6 59.60 2.52 1.5512 5 3 1 59.87 2.02 1.5449 11 2 1 60.00 3.71 1.5419 -14 1 4 60.16 5.72 1.5381 -6 3 2 60.21 1.08 1.5370 -2 3 3 60.58 1.16 1.5284 9 1 4 60.59 1.86 1.5282 -2 0 7 60.66 3.64 1.5265 10 2 2 60.76 1.42 1.5243 -12 0 6 60.76 7.70 1.5243 0 3 3 60.83 9.54 1.5227 -4 3 3 61.02 1.68 1.5184 3 1 6 61.02 3.82 1.5184 4 3 2 61.14 1.80 1.5158 10 0 4 61.43 6.36 1.5093 -8 0 7 61.48 2.21 1.5082 1 3 3 61.59 2.22 1.5059 -5 3 3 61.72 1.57 1.5029 -16 0 2 62.51 3.50 1.4857 -10 2 5 62.66 2.21 1.4827 0 0 7 63.04 7.16 1.4745 -4 2 6 63.42 2.70 1.4667 12 2 1 63.49 1.13 1.4652 -8 3 2 63.49 1.08 1.4652 7 3 1 64.26 2.83 1.4495 14 0 2 64.38 1.02 1.4471 -8 1 7 64.67 4.24 1.4414 6 3 2 64.73 1.06 1.4401 12 1 3 64.82 1.83 1.4383 -2 3 4 65.06 5.64 1.4337 -4 3 4 65.21 3.45 1.4307 -16 1 3 65.31 3.74 1.4287 4 3 3 65.52 2.29 1.4247 -8 3 3 65.72 6.34 1.4208 0 3 4 66.04 1.00 1.4148 -14 2 1 66.42 3.69 1.4075 -6 3 4 66.47 1.08 1.4066 -14 2 3 66.94 3.00 1.3979 -12 2 5 67.14 3.53 1.3942 -16 1 4 67.14 1.82 1.3942 14 1 2 67.72 3.45 1.3837 16 1 0 67.93 4.82 1.3799 2 2 6 68.10 1.89 1.3768 6 2 5 68.19 1.84 1.3753 6 1 6 69.28 1.20 1.3563 -17 1 3 69.37 1.49 1.3548 -6 0 8 69.46 1.25 1.3531 -4 0 8 70.00 1.02 1.3441 4 0 7 70.22 1.68 1.3404 14 0 3 70.39 6.61 1.3376 -16 1 5 70.74 1.12 1.3317 -18 0 3 70.83 1.34 1.3303 -5 3 5 71.71 1.07 1.3162 4 2 6 72.03 3.84 1.3111 10 1 5 72.07 2.31 1.3104 -2 2 7 72.15 1.04 1.3093 -6 1 8 72.24 2.30 1.3078 -4 1 8 72.25 2.56 1.3076 -18 0 4 72.45 2.18 1.3046 -10 0 8 72.58 1.23 1.3026 10 2 4 72.84 2.75 1.2985 -8 2 7 73.11 1.22 1.2944 -16 2 2 73.41 1.90 1.2898 -2 1 8 74.04 1.03 1.2804 8 3 3 74.36 1.26 1.2756 -12 3 3 74.47 3.38 1.2740 -18 1 1 74.51 4.28 1.2735 0 4 0 74.64 3.17 1.2716 1 4 0 75.14 1.20 1.2644 6 0 7 75.18 2.92 1.2638 -10 1 8 75.46 3.84 1.2598 14 2 2 75.64 2.79 1.2572 0 1 8 76.01 2.46 1.2520 16 2 0 76.82 1.77 1.2409 9 3 3 76.87 1.98 1.2402 -12 3 4 77.26 2.24 1.2349 14 0 4 77.38 1.37 1.2332 12 3 1 77.50 1.33 1.2316 -2 3 6 77.76 1.51 1.2282 -18 1 5 77.90 1.82 1.2263 -16 0 7 79.95 3.29 1.2000 8 3 4 80.61 1.10 1.1918 -7 2 8 80.90 2.07 1.1882 10 1 6 80.98 1.03 1.1873 1 4 3 81.07 1.33 1.1862 14 2 3 81.21 1.17 1.1844 -8 2 8 81.52 4.10 1.1808 14 3 0 81.57 1.86 1.1802 2 3 6 81.57 2.98 1.1801 -18 2 3 81.78 1.78 1.1776 -18 1 6 81.94 1.45 1.1758 -10 3 6 82.32 1.01 1.1713 -14 3 4 82.92 2.34 1.1644 8 4 0 83.20 1.83 1.1611 -10 2 8 83.84 1.17 1.1539 6 4 2 84.05 1.78 1.1516 -2 1 9 85.13 1.13 1.1397 4 3 6 85.63 1.89 1.1343 -12 3 6 86.22 1.03 1.1281 -12 2 8 86.53 1.15 1.1248 -10 4 1 86.54 1.78 1.1248 12 3 3 86.97 2.13 1.1202 -16 3 3 87.43 1.19 1.1155 -16 1 8 87.86 1.96 1.1112 14 2 4 88.49 1.81 1.1049 -16 2 7 89.08 1.19 1.0991 18 0 3 89.35 1.46 1.0965 -2 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.