Winchite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061124 Sokolova E V, Hawthorne F C, Gorbatova V, McCammon C, Schneider J The Canadian Mineralogist 39 (2001) 171-177 Ferrian winchite from the Ilmen mountains, southern Urals, Russia and some problems with the current scheme for amphibole nomenclature Locality: Ilmen mountains, southern Urals, Russia Note: x-coordinate of T1 and all coordinates of O6 adjusted to match reported bond lengths CELL PARAMETERS: 9.7910 17.9830 5.2940 90.000 104.550 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.50000 0.00000 0.130 2.000 Ca 0.00000 0.27610 0.50000 0.330 1.400 Na 0.00000 0.27610 0.50000 0.670 1.400 Mg 0.00000 0.08870 0.50000 1.000 0.600 Fe 0.00000 0.17840 0.00000 0.460 0.600 Fe 0.00000 0.17840 0.00000 0.435 0.600 Al 0.00000 0.17840 0.00000 0.100 0.600 Ti 0.00000 0.17840 0.00000 0.005 0.600 Mg 0.00000 0.00000 0.00000 0.790 0.300 Fe 0.00000 0.00000 0.00000 0.130 0.300 Mn 0.00000 0.00000 0.00000 0.070 0.300 Si 0.28500 0.08580 0.30200 0.970 1.000 Al 0.28500 0.08580 0.30200 0.030 1.000 Si 0.28900 0.17460 0.80100 1.000 0.800 O 0.11100 0.08900 0.21600 1.000 0.700 O 0.11900 0.17400 0.73000 1.000 1.400 OH 0.10700 0.00000 0.70900 0.885 0.600 F 0.10700 0.00000 0.70900 0.115 0.600 O 0.36600 0.25130 0.78900 1.000 1.700 O 0.35100 0.12540 0.07700 1.000 1.200 O 0.33400 0.11600 0.60200 1.000 1.600 O 0.34500 0.00000 0.31900 1.000 1.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 6.446283439 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.84 18.67 8.9915 0 2 0 10.55 71.55 8.3840 1 1 0 17.51 2.01 5.0660 1 3 0 18.17 25.18 4.8816 -1 1 1 18.73 5.25 4.7385 2 0 0 19.75 25.48 4.4957 0 4 0 19.94 5.27 4.4520 0 2 1 21.19 1.23 4.1920 2 2 0 22.25 2.21 3.9950 1 1 1 22.97 29.64 3.8720 -1 3 1 24.26 1.67 3.6687 -2 2 1 26.35 46.26 3.3826 1 3 1 26.51 2.12 3.3626 1 5 0 27.35 34.26 3.2614 2 4 0 28.69 70.77 3.1114 3 1 0 30.40 33.11 2.9401 2 2 1 30.47 6.47 2.9338 -1 5 1 32.03 9.84 2.7947 3 3 0 32.92 20.78 2.7208 -3 3 1 33.14 100.00 2.7030 1 5 1 34.67 28.07 2.5871 0 6 1 35.02 7.14 2.5621 0 0 2 35.39 53.58 2.5360 -2 0 2 36.82 1.33 2.4408 -2 2 2 37.43 1.52 2.4025 -2 6 1 37.91 5.69 2.3735 3 5 0 38.68 25.26 2.3277 -3 5 1 38.97 11.58 2.3112 -4 2 1 39.31 10.63 2.2918 -1 7 1 39.65 18.49 2.2730 -3 1 2 40.85 5.88 2.2088 -2 4 2 41.49 5.20 2.1766 1 7 1 41.85 25.15 2.1585 2 6 1 42.22 3.47 2.1403 -3 3 2 42.40 1.91 2.1316 -1 5 2 44.21 12.03 2.0487 2 0 2 45.02 10.42 2.0136 3 5 1 45.13 7.73 2.0092 -4 0 2 45.51 2.73 1.9931 3 7 0 46.18 1.34 1.9658 -3 7 1 46.43 1.54 1.9556 1 5 2 46.45 3.03 1.9551 1 9 0 47.02 1.70 1.9325 -3 5 2 47.23 1.94 1.9245 4 2 1 48.28 6.81 1.8850 5 1 0 48.71 1.84 1.8693 -4 6 1 48.85 2.72 1.8642 2 4 2 49.00 8.18 1.8591 -1 9 1 49.44 2.00 1.8433 -1 7 2 49.70 2.64 1.8344 -4 4 2 50.50 3.70 1.8072 5 3 0 50.77 5.66 1.7983 0 10 0 50.84 2.34 1.7959 1 9 1 52.60 6.33 1.7399 -5 1 2 54.29 1.62 1.6897 0 8 2 54.33 4.30 1.6887 -1 3 3 54.52 2.20 1.6833 -3 1 3 54.55 5.96 1.6822 -2 8 2 54.70 5.46 1.6781 0 2 3 55.84 26.22 1.6464 4 6 1 56.43 5.97 1.6307 4 8 0 57.18 8.74 1.6110 1 11 0 58.37 20.75 1.5808 -1 5 3 58.43 3.66 1.5795 6 0 0 58.72 1.00 1.5723 -5 5 2 59.36 1.50 1.5569 2 10 1 59.42 4.84 1.5556 4 0 2 60.66 8.16 1.5267 -6 0 2 61.09 3.83 1.5168 1 9 2 61.24 18.59 1.5135 -2 6 3 61.92 8.77 1.4986 0 12 0 61.93 3.11 1.4983 5 5 1 61.94 2.46 1.4980 -4 8 2 62.60 1.20 1.4840 0 6 3 63.18 1.48 1.4716 2 2 3 63.26 2.96 1.4701 4 4 2 63.41 2.14 1.4669 -2 10 2 63.52 1.11 1.4647 3 7 2 64.14 5.44 1.4519 3 11 0 64.14 2.50 1.4519 -1 7 3 64.45 2.22 1.4457 -6 4 2 65.18 25.16 1.4313 -6 6 1 65.60 1.28 1.4231 -5 3 3 68.81 9.45 1.3643 5 1 2 69.25 4.86 1.3568 -5 5 3 69.65 2.40 1.3500 7 1 0 70.35 6.27 1.3383 1 11 2 70.52 4.73 1.3355 2 6 3 70.57 1.62 1.3346 -1 13 1 70.61 2.90 1.3339 5 3 2 70.80 3.16 1.3308 -3 11 2 71.43 1.21 1.3207 -1 9 3 71.43 1.02 1.3206 7 3 0 71.74 1.38 1.3157 -5 9 2 72.06 5.82 1.3106 -1 1 4 72.52 7.42 1.3035 -7 5 1 73.16 3.72 1.2936 0 12 2 73.36 1.58 1.2907 -3 9 3 73.39 11.93 1.2902 -2 12 2 73.82 1.52 1.2836 -1 3 4 74.00 2.77 1.2811 0 0 4 74.21 2.02 1.2779 6 6 1 74.89 3.99 1.2680 -4 0 4 78.11 1.01 1.2235 -2 14 1 80.43 7.43 1.1940 -5 11 2 81.20 1.39 1.1846 8 0 0 82.85 4.11 1.1651 2 0 4 82.96 1.11 1.1639 -6 10 2 84.21 1.03 1.1498 4 6 3 86.92 1.64 1.1208 7 9 0 87.96 1.15 1.1102 -6 4 4 89.21 1.23 1.0978 0 16 1 89.69 1.27 1.0932 3 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.