{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}{\f1\froman\fcharset0 Times New Roman;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Wagnerite\par \f1\fs24 Diffraction data computed using the structure from the paper listed below, \par along with the cell parameters refined from the powder pattern of R050519\f0\fs20\par Coda A, Giuseppetti G, Tadini C, Carobbi S G\par Atti della Accademia Nazionale dei Lincei 43 (1967) 212-224\par The crystal structure of wagnerite\par Locality: Hollgraben near Werfen, Austria\par \par CELL PARAMETERS: 9.6440 12.6790 11.9570 90.000 108.300 90.000\par SPACE GROUP: P2_1/c \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Mg 0.55190 0.07080 0.91310 1.000 0.710\par Mg 0.46610 0.06970 0.60030 1.000 0.730\par Mg 0.04580 0.18200 0.91950 1.000 0.470\par Mg 0.96480 0.17820 0.60710 1.000 0.430\par Mg 0.19070 0.01930 0.19000 1.000 0.350\par Mg 0.78960 0.00400 0.30710 1.000 0.280\par Mg 0.30660 0.23160 0.31340 1.000 0.540\par Mg 0.70690 0.24570 0.19470 1.000 0.360\par P 0.11650 0.07640 0.42570 1.000 0.360\par P 0.87870 0.07160 0.07600 1.000 0.340\par P 0.38360 0.17530 0.07520 1.000 0.350\par P 0.62000 0.17810 0.42350 1.000 0.360\par O 0.17660 0.11140 0.32580 1.000 0.650\par O 0.79810 0.09430 0.16460 1.000 0.630\par O 0.31600 0.14300 0.17080 1.000 0.900\par O 0.69210 0.15010 0.32960 1.000 0.970\par O 0.24360 0.04690 0.53550 1.000 0.680\par O 0.76740 0.05390 0.95290 1.000 0.740\par O 0.26350 0.20300 0.96010 1.000 0.680\par O 0.73870 0.20320 0.53980 1.000 0.670\par O 0.98580 0.01800 0.62080 1.000 0.920\par O 0.02270 0.02720 0.88440 1.000 0.660\par O 0.48430 0.22910 0.61800 1.000 0.760\par O 0.51900 0.22520 0.88170 1.000 0.820\par O 0.47310 0.08360 0.05110 1.000 0.980\par O 0.51900 0.08770 0.43930 1.000 1.010\par O 0.02650 0.16590 0.45610 1.000 0.650\par O 0.98310 0.16110 0.06880 1.000 0.850\par F 0.41710 0.04750 0.75480 1.000 1.160\par F 0.67060 0.08280 0.71460 1.000 1.170\par F 0.17240 0.16250 0.72000 1.000 1.220\par F 0.91390 0.20440 0.75980 1.000 1.180\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 11 +/- 10\par MAX. ABS. INTENSITY / VOLUME**2: 7.546259473 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 15.61 8.10 5.6761 0 0 2\par 16.01 2.30 5.5349 0 2 1\par 17.01 6.93 5.2121 1 2 0\par 19.39 2.08 4.5781 2 0 0\par 20.75 2.10 4.2803 -2 0 2\par 20.98 6.90 4.2347 -1 2 2\par 23.24 5.07 3.8272 -2 2 1\par 24.55 1.20 3.6260 0 1 3\par 25.18 2.70 3.5371 1 2 2\par 27.11 50.70 3.2891 2 2 1\par 27.45 10.13 3.2493 0 2 3\par 28.64 64.40 3.1172 2 0 2\par 30.06 100.00 2.9725 -1 4 1\par 31.44 79.49 2.8452 -2 0 4\par 31.52 4.60 2.8381 0 0 4\par 31.90 12.96 2.8058 -3 2 2\par 32.32 1.04 2.7695 0 1 4\par 32.35 5.45 2.7675 0 4 2\par 32.56 26.19 2.7500 3 2 0\par 33.13 18.04 2.7037 -1 2 4\par 34.41 1.95 2.6061 2 4 0\par 35.23 4.30 2.5473 -2 4 2\par 36.29 11.87 2.4756 -1 4 3\par 37.47 5.83 2.4004 -4 0 2\par 38.16 1.22 2.3585 -4 1 2\par 39.36 3.51 2.2891 4 0 0\par 39.74 1.36 2.2680 -4 1 3\par 39.97 1.91 2.2558 -3 4 1\par 40.26 6.53 2.2399 -4 2 1\par 40.28 2.26 2.2388 3 2 2\par 40.59 9.12 2.2225 2 4 2\par 40.98 11.44 2.2024 -2 2 5\par 41.69 2.27 2.1664 -4 2 3\par 42.23 3.51 2.1401 -4 0 4\par 42.42 1.67 2.1311 2 0 4\par 42.63 1.94 2.1208 -3 4 3\par 42.70 4.65 2.1173 -2 4 4\par 43.30 1.27 2.0897 4 1 1\par 43.56 3.66 2.0775 0 6 1\par 43.67 12.66 2.0727 3 4 1\par 43.98 9.02 2.0590 1 6 0\par 45.78 5.86 1.9820 -2 0 6\par 45.80 6.80 1.9810 -1 6 2\par 46.98 1.88 1.9341 -2 6 1\par 47.25 9.58 1.9237 4 0 2\par 47.51 3.44 1.9136 -4 4 2\par 47.82 2.06 1.9020 4 1 2\par 48.06 6.18 1.8932 1 6 2\par 48.09 5.17 1.8920 0 0 6\par 48.14 8.13 1.8902 -1 2 6\par 49.09 2.79 1.8558 4 4 0\par 49.19 1.17 1.8522 2 6 1\par 49.40 1.49 1.8450 0 6 3\par 50.20 2.78 1.8172 -3 2 6\par 50.42 1.13 1.8100 -2 6 3\par 50.86 8.79 1.7953 -3 4 5\par 51.52 3.32 1.7737 -4 4 4\par 51.98 2.56 1.7593 5 2 0\par 52.24 3.70 1.7512 -3 6 2\par 52.26 4.68 1.7503 -5 2 4\par 52.31 3.00 1.7488 2 2 5\par 52.68 6.25 1.7374 3 6 0\par 53.06 7.14 1.7261 1 4 5\par 53.07 5.42 1.7255 -1 6 4\par 54.94 11.75 1.6712 4 2 3\par 55.91 1.31 1.6446 4 4 2\par 56.50 4.18 1.6288 -5 4 3\par 56.56 1.29 1.6271 2 6 3\par 58.21 2.72 1.5849 0 8 0\par 58.23 1.05 1.5844 -4 6 1\par 58.25 9.69 1.5840 3 6 2\par 58.33 7.80 1.5820 2 0 6\par 58.77 3.32 1.5712 0 2 7\par 59.04 1.41 1.5645 -6 0 4\par 59.30 1.66 1.5584 -1 8 1\par 59.33 8.85 1.5577 -4 6 3\par 59.52 9.54 1.5532 5 2 2\par 60.04 7.34 1.5409 -5 2 6\par 60.67 5.75 1.5265 0 8 2\par 61.56 3.48 1.5064 -5 4 5\par 61.96 2.80 1.4977 2 8 0\par 62.10 2.94 1.4946 -2 0 8\par 62.23 3.44 1.4917 -1 4 7\par 62.49 5.01 1.4863 -2 8 2\par 63.07 5.14 1.4741 -3 4 7\par 63.58 4.59 1.4633 -6 2 5\par 64.86 4.38 1.4376 -3 2 8\par 65.41 3.77 1.4268 -6 0 6\par 65.43 1.14 1.4264 3 4 5\par 65.53 3.22 1.4246 -5 6 2\par 65.63 2.29 1.4226 -4 0 8\par 65.81 3.18 1.4190 0 0 8\par 65.92 4.71 1.4170 1 8 3\par 65.94 1.87 1.4166 6 2 1\par 66.21 2.65 1.4116 -3 6 6\par 66.67 3.34 1.4029 -6 4 4\par 66.90 3.46 1.3986 4 4 4\par 67.57 1.55 1.3863 3 2 6\par 67.67 2.92 1.3846 -2 8 4\par 67.71 7.07 1.3839 5 6 0\par 67.95 3.80 1.3795 -5 6 4\par 68.13 6.03 1.3763 3 6 4\par 68.82 3.31 1.3641 2 2 7\par 69.54 1.83 1.3519 -2 4 8\par 69.85 2.00 1.3466 1 6 6\par 70.16 2.16 1.3413 -7 2 2\par 70.33 1.61 1.3385 5 4 3\par 71.96 3.67 1.3122 -6 2 7\par 73.96 2.77 1.2816 -3 8 5\par 74.30 3.76 1.2766 5 6 2\par 74.41 1.21 1.2750 4 0 6\par 74.50 1.18 1.2737 -4 8 4\par 74.77 1.70 1.2698 -5 6 6\par 76.82 1.55 1.2409 -7 4 1\par 77.93 1.98 1.2259 -2 10 1\par 77.98 1.37 1.2253 -6 6 5\par 78.77 5.23 1.2150 0 8 6\par 79.33 4.05 1.2077 -1 4 9\par 79.77 1.33 1.2022 0 10 3\par 80.53 1.05 1.1928 -2 0 10\par 81.24 1.00 1.1842 -8 2 3\par 81.67 1.62 1.1790 3 6 6\par 82.37 1.49 1.1707 4 6 5\par 82.84 1.18 1.1653 2 6 7\par 83.12 1.01 1.1621 2 4 8\par 83.12 3.12 1.1620 -8 2 5\par 83.27 1.30 1.1603 5 4 5\par 84.69 4.09 1.1445 -7 6 4\par 85.01 1.03 1.1410 -7 4 7\par 85.40 1.79 1.1368 3 2 8\par 87.35 1.19 1.1164 -2 4 10\par 87.85 1.32 1.1113 4 8 4\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }