Halotrichite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070673 Lovas G A Acta Geologica Hungarica 29 (1986) 389-398 Structural study of halotrichite from Recsk (Matra Mts., N-Hungary) Locality: Recsk, Matra Mountains, Hungary CELL PARAMETERS: 6.2030 24.3200 21.3200 90.000 100.370 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Fe 0.38500 0.59500 0.07600 0.970 2.300 Mg 0.38500 0.59500 0.07600 0.020 2.300 Mn 0.38500 0.59500 0.07600 0.010 2.300 Al 0.42000 0.61600 0.41100 0.990 2.300 Fe 0.42000 0.61600 0.41100 0.010 2.300 Al 0.70700 0.33500 0.19500 0.990 2.300 Fe 0.70700 0.33500 0.19500 0.010 2.300 S 0.08700 0.24400 0.50500 1.000 2.300 S 0.96500 0.47500 0.37600 1.000 2.300 S 0.12300 0.19400 0.24200 1.000 2.300 S 0.14500 0.47700 0.09400 1.000 2.300 O 0.33300 0.51900 0.11500 1.000 2.300 Wa 0.72500 0.59000 0.11900 1.000 2.300 Wa 0.34300 0.63500 0.16400 1.000 2.300 Wa 0.45600 0.67400 0.03700 1.000 2.300 Wa 0.06300 0.60700 0.04300 1.000 2.300 Wa 0.41600 0.55600 -0.01000 1.000 2.300 Wa 0.47800 0.55300 0.36000 1.000 2.300 Wa 0.12900 0.62100 0.37700 1.000 2.300 Wa 0.51400 0.66200 0.35300 1.000 2.300 Wa 0.35500 0.67900 0.46200 1.000 2.300 Wa 0.70800 0.61200 0.44600 1.000 2.300 Wa 0.33300 0.56900 0.47000 1.000 2.300 Wa 0.55500 0.32100 0.11000 1.000 2.300 Wa 0.96000 0.30700 0.17500 1.000 2.300 Wa 0.62200 0.26300 0.21200 1.000 2.300 Wa 0.86000 0.34900 0.27800 1.000 2.300 Wa 0.45000 0.36100 0.21200 1.000 2.300 Wa 0.79000 0.40600 0.17600 1.000 2.300 O 0.13100 0.22400 0.44200 1.000 2.300 O -0.02500 0.30200 0.50600 1.000 2.300 O -0.09200 0.21100 0.54100 1.000 2.300 O 0.28600 0.24000 0.53600 1.000 2.300 O 0.01200 0.42300 0.31200 1.000 2.300 O 0.90500 0.52900 0.35500 1.000 2.300 O 0.16600 0.46500 0.41400 1.000 2.300 O 0.78700 0.44500 0.39900 1.000 2.300 O 0.10500 0.18500 0.30700 1.000 2.300 O 0.20200 0.25500 0.23300 1.000 2.300 O -0.09900 0.17800 0.21100 1.000 2.300 O 0.27300 0.16200 0.21300 1.000 2.300 O 0.14600 0.46100 0.16100 1.000 2.300 O 0.21200 0.42900 0.05000 1.000 2.300 O -0.07500 0.48900 0.10200 1.000 2.300 Wa 0.68800 0.25300 0.34400 1.000 2.300 Wa 0.31100 0.52500 0.28000 1.000 2.300 Wa 0.67900 0.49500 0.17900 1.000 2.300 Wa 0.41600 0.43400 0.35800 1.000 2.300 Wa 0.39800 0.27700 0.41300 1.000 2.300 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 22 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 4.521576514 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.56 43.51 15.8822 0 1 1 8.41 11.81 10.5196 0 2 1 8.43 3.87 10.4859 0 0 2 9.18 22.82 9.6290 0 1 2 11.14 6.56 7.9411 0 2 2 13.18 3.25 6.7185 0 1 3 14.57 2.82 6.0800 0 4 0 14.62 45.16 6.0605 0 2 3 14.97 5.53 5.9183 1 1 0 15.17 4.35 5.8395 0 4 1 15.43 1.62 5.7422 -1 0 2 15.86 1.03 5.5886 -1 1 2 16.12 7.32 5.4979 -1 2 1 16.75 5.60 5.2941 0 3 3 16.91 4.71 5.2429 0 0 4 17.08 1.44 5.1924 -1 2 2 17.30 10.39 5.1252 0 1 4 17.45 1.05 5.0827 1 2 1 17.87 23.74 4.9645 -1 1 3 18.08 9.57 4.9066 -1 3 1 18.20 16.57 4.8751 1 3 0 18.43 100.00 4.8145 0 2 4 18.96 8.66 4.6806 -1 2 3 19.28 13.33 4.6047 1 3 1 19.35 1.77 4.5876 0 4 3 19.52 3.56 4.5481 1 2 2 20.12 10.76 4.4124 0 5 2 20.25 12.53 4.3859 -1 0 4 20.52 11.31 4.3286 -1 4 1 20.58 1.08 4.3163 -1 1 4 20.62 25.35 4.3069 1 4 0 20.66 5.00 4.2994 -1 3 3 21.17 2.55 4.1960 1 3 2 21.28 11.80 4.1747 -1 4 2 21.30 6.87 4.1720 1 1 3 21.54 5.11 4.1258 -1 2 4 21.59 15.19 4.1170 1 4 1 22.23 17.59 3.9992 1 2 3 22.27 1.21 3.9926 0 5 3 22.34 5.75 3.9797 0 6 1 22.42 10.49 3.9651 0 2 5 22.83 4.41 3.8944 -1 4 3 23.06 4.06 3.8575 -1 3 4 23.30 1.70 3.8183 -1 5 1 23.30 2.87 3.8171 1 4 2 23.39 6.13 3.8034 1 5 0 23.53 27.94 3.7807 0 6 2 23.70 2.56 3.7535 1 3 3 23.76 1.46 3.7444 -1 1 5 23.89 1.25 3.7253 0 3 5 24.25 3.40 3.6707 1 5 1 24.57 5.09 3.6230 1 1 4 25.03 3.24 3.5570 -1 4 4 25.39 37.53 3.5081 1 2 4 25.40 47.39 3.5065 0 6 3 25.75 8.46 3.4597 0 1 6 25.80 4.27 3.4534 1 5 2 25.95 3.49 3.4330 -1 3 5 26.32 1.22 3.3867 -1 6 1 26.40 1.69 3.3763 1 6 0 26.53 1.11 3.3593 0 2 6 26.70 2.13 3.3387 1 3 4 26.92 1.11 3.3114 -1 6 2 27.04 7.83 3.2980 0 7 2 27.17 1.90 3.2824 1 6 1 27.27 1.07 3.2700 -1 1 6 28.02 5.11 3.1847 -1 2 6 28.14 4.01 3.1709 1 1 5 28.69 2.08 3.1112 0 7 3 28.97 1.92 3.0820 -2 0 2 29.04 5.12 3.0747 -2 1 1 29.22 4.54 3.0564 -1 3 6 29.51 8.37 3.0271 2 1 0 29.75 2.60 3.0035 -2 2 1 30.00 5.75 2.9786 -2 1 3 30.02 3.95 2.9768 -1 6 4 30.05 1.65 2.9735 0 1 7 30.28 1.01 2.9515 1 7 1 30.53 1.21 2.9282 1 6 3 30.58 1.06 2.9232 2 1 1 30.83 11.52 2.9003 -1 4 6 31.04 6.29 2.8808 -2 3 2 31.21 1.65 2.8662 -1 7 3 31.26 3.23 2.8618 2 2 1 31.37 3.51 2.8513 -2 1 4 31.52 5.76 2.8384 0 5 6 31.56 4.31 2.8349 1 7 2 31.93 2.89 2.8029 1 1 6 32.03 2.05 2.7943 -2 2 4 32.11 7.11 2.7878 0 8 3 32.34 2.17 2.7682 -1 6 5 32.35 3.71 2.7676 2 3 1 32.57 5.04 2.7490 -2 4 2 32.76 3.42 2.7339 -1 3 7 32.85 4.22 2.7262 2 2 2 32.89 3.65 2.7234 -1 7 4 33.10 1.72 2.7064 -2 3 4 33.29 1.82 2.6912 -2 4 3 33.35 13.83 2.6867 -1 8 2 33.36 1.62 2.6860 1 7 3 33.43 2.34 2.6801 0 9 1 33.55 1.57 2.6712 1 8 1 33.90 1.51 2.6444 2 3 2 34.22 3.92 2.6205 -1 4 7 34.32 7.76 2.6129 2 1 3 34.55 2.03 2.5962 -2 4 4 34.71 6.23 2.5845 2 5 0 34.72 2.42 2.5838 1 8 2 34.91 3.40 2.5703 -2 3 5 34.93 2.40 2.5688 2 2 3 35.04 1.33 2.5609 -1 7 5 35.06 2.64 2.5595 1 4 6 35.07 8.98 2.5591 -1 6 6 35.53 1.57 2.5267 -1 2 8 35.60 3.95 2.5220 -2 1 6 35.61 2.34 2.5211 1 7 4 35.62 1.02 2.5205 0 9 3 36.01 1.18 2.4943 0 3 8 36.02 2.11 2.4934 -1 5 7 36.29 1.08 2.4754 -2 4 5 36.30 1.65 2.4748 -1 9 1 36.47 1.35 2.4639 1 2 7 36.50 1.71 2.4615 0 8 5 36.63 1.22 2.4533 -2 6 2 36.76 6.22 2.4450 -1 9 2 36.87 1.25 2.4375 2 6 0 37.36 3.69 2.4072 0 4 8 37.59 2.59 2.3927 -1 7 6 37.72 2.12 2.3848 -1 9 3 37.84 1.13 2.3774 -1 4 8 38.02 1.70 2.3667 1 9 2 38.31 1.41 2.3495 -2 1 7 38.73 3.47 2.3249 1 4 7 38.82 1.61 2.3196 0 1 9 38.95 1.16 2.3122 2 5 3 38.99 1.13 2.3100 -1 1 9 39.03 2.13 2.3077 0 5 8 39.37 1.85 2.2886 0 2 9 39.54 3.55 2.2794 -1 2 9 39.56 2.18 2.2780 1 9 3 39.69 1.39 2.2712 -2 7 3 39.91 1.67 2.2592 1 10 0 39.97 1.92 2.2555 1 1 8 40.27 3.20 2.2394 -1 10 2 40.34 1.17 2.2359 -1 8 6 40.48 1.60 2.2282 -1 7 7 41.05 1.80 2.1987 0 11 1 41.13 1.24 2.1946 2 3 5 41.23 1.73 2.1895 2 5 4 41.66 5.11 2.1680 -1 4 9 41.86 4.91 2.1581 -2 2 8 41.95 1.26 2.1534 2 8 0 42.36 2.47 2.1339 0 8 7 42.50 2.44 2.1269 -1 10 4 42.87 2.28 2.1094 2 1 6 42.90 1.95 2.1080 0 11 3 42.99 1.27 2.1039 0 10 5 43.16 1.13 2.0960 2 7 3 43.30 2.82 2.0894 0 1 10 43.49 2.81 2.0811 -1 11 1 43.99 1.16 2.0585 2 8 2 44.21 2.53 2.0486 2 3 6 44.94 1.85 2.0173 0 12 1 45.02 2.59 2.0138 -1 6 9 45.15 1.03 2.0082 -2 9 3 45.43 2.19 1.9963 0 10 6 45.49 2.28 1.9938 1 3 9 45.87 4.71 1.9783 -1 9 7 46.01 1.48 1.9728 3 3 0 46.11 6.33 1.9685 -1 8 8 46.29 1.95 1.9614 2 1 7 46.38 1.60 1.9578 -1 10 6 46.39 1.53 1.9574 -3 4 2 46.43 3.97 1.9558 0 11 5 46.59 3.28 1.9494 -3 2 5 46.87 2.17 1.9383 1 8 7 47.04 1.14 1.9316 -2 4 9 47.17 1.61 1.9266 3 1 2 47.21 1.02 1.9253 -1 12 1 47.62 3.40 1.9097 -1 11 5 47.64 1.75 1.9087 3 2 2 47.86 3.33 1.9007 0 1 11 47.95 4.56 1.8972 -3 5 1 48.02 1.40 1.8948 -2 0 10 48.07 2.40 1.8927 -3 5 3 48.10 1.77 1.8915 3 4 1 48.36 2.50 1.8820 -1 12 3 48.37 1.40 1.8816 0 9 8 48.42 5.57 1.8800 3 3 2 48.45 2.57 1.8790 -2 5 9 48.77 1.56 1.8672 -1 9 8 48.85 1.09 1.8645 -1 10 7 48.99 2.04 1.8595 3 1 3 49.41 1.15 1.8445 -1 8 9 49.44 1.32 1.8434 3 2 3 49.55 1.86 1.8397 -1 12 4 49.64 1.30 1.8367 -3 6 1 49.74 1.06 1.8332 1 3 10 49.98 3.56 1.8248 0 12 5 50.20 1.74 1.8175 3 3 3 51.12 2.31 1.7869 2 3 8 51.13 1.44 1.7866 -1 5 11 51.89 1.03 1.7620 0 13 4 52.32 1.37 1.7486 1 10 7 52.68 1.58 1.7375 2 8 6 52.69 1.21 1.7371 0 14 0 52.78 1.00 1.7346 2 11 2 53.36 1.54 1.7169 -3 7 5 53.38 2.15 1.7165 -2 6 10 53.40 1.35 1.7158 1 2 11 54.06 1.71 1.6962 -1 4 12 54.75 3.51 1.6765 -3 7 6 55.10 1.54 1.6667 2 9 6 55.11 2.61 1.6664 -2 11 6 56.00 1.40 1.6420 -3 9 2 56.24 1.12 1.6355 -3 9 3 56.42 1.92 1.6310 3 1 6 57.12 1.21 1.6127 2 5 9 57.81 1.43 1.5948 2 13 0 58.46 1.02 1.5786 3 4 6 58.54 1.31 1.5767 -3 8 7 60.67 1.13 1.5265 -1 12 9 60.92 1.96 1.5208 -1 15 4 61.03 1.81 1.5184 -2 3 13 64.51 1.13 1.4446 2 9 9 72.59 1.47 1.3023 2 14 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.