{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Beraunite\par Diffraction data computed using the structure from the paper listed below, \par along with the cell parameters refined from the powder pattern of R060696\par Marzoni Fecia di Cossato Y, Orlandi P, Pasero M\par The Canadian Mineralogist 27 (1989) 441-446\par Manganese-bearing beraunite from Mangualde, Portugal: mineral data\par and structure refinement\par Locality: Mangualde, Portugal\par \par CELL PARAMETERS: 20.7600 5.1540 19.2480 90.000 93.550 90.000\par SPACE GROUP: C2/c \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Fe 0.00000 0.00000 0.00000 0.800 1.034\par Mn 0.00000 0.00000 0.00000 0.200 1.034\par Mn 0.25000 0.25000 0.00000 1.000 0.734\par Fe 0.04363 0.27055 0.17228 1.000 0.869\par Fe 0.10754 0.03252 0.41240 1.000 0.845\par P 0.10480 0.47752 0.02599 1.000 0.640\par P 0.40746 0.03940 0.18244 1.000 0.726\par O 0.17720 0.48560 0.01540 1.000 0.995\par O 0.42730 0.24540 0.01850 1.000 0.940\par O 0.42420 0.24020 0.49960 1.000 1.216\par O 0.09250 0.43920 0.10200 1.000 1.492\par O 0.47940 0.04580 0.16840 1.000 1.113\par O 0.10170 0.47790 0.24100 1.000 1.240\par O 0.37880 0.30870 0.16550 1.000 0.979\par O 0.12990 0.34140 0.36430 1.000 1.058\par O 0.00760 0.04640 0.39650 1.000 1.326\par O 0.19120 0.01720 0.46220 1.000 1.145\par O 0.00000 0.10350 0.25000 1.000 1.366\par O 0.38570 0.47280 0.32140 1.000 1.934\par O 0.24710 0.08390 0.09770 1.000 1.476\par O 0.23100 0.34900 0.21560 1.000 3.056\par H 0.00900 0.95000 0.38800 1.000 13.423\par H 0.19100 0.11700 0.47600 1.000 3.158\par H -0.00200 0.97800 0.23500 0.500 11.054\par H 0.12700 0.90700 0.15400 1.000 11.054\par H 0.11300 0.90900 0.21500 1.000 9.475\par H 0.28900 0.97400 0.11100 1.000 7.896\par H 0.24100 0.16100 0.12600 1.000 2.369\par H 0.25200 0.95700 0.27600 1.000 3.158\par H 0.19100 0.38600 0.21800 1.000 7.106\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 19 +/- 4 +/- 17\par MAX. ABS. INTENSITY / VOLUME**2: 20.23380839 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 8.53 100.00 10.3601 2 0 0\par 9.21 36.87 9.6055 0 0 2\par 12.17 28.76 7.2719 -2 0 2\par 12.95 1.05 6.8359 2 0 2\par 17.12 2.40 5.1800 4 0 0\par 18.40 33.07 4.8227 1 1 1\par 18.47 2.51 4.8028 0 0 4\par 19.89 6.04 4.4641 -2 0 4\par 19.89 2.41 4.4636 -1 1 2\par 20.14 14.79 4.4093 1 1 2\par 21.51 2.55 4.1307 3 1 0\par 21.84 5.19 4.0695 -3 1 1\par 23.76 11.42 3.7447 3 1 2\par 25.22 4.00 3.5312 -3 1 3\par 25.52 12.35 3.4904 -1 1 4\par 25.80 11.75 3.4534 6 0 0\par 25.91 4.17 3.4386 1 1 4\par 26.07 4.21 3.4180 4 0 4\par 26.10 10.63 3.4141 3 1 3\par 26.89 3.74 3.3157 -6 0 2\par 27.62 4.35 3.2296 5 1 0\par 27.79 2.65 3.2103 -5 1 1\par 27.86 10.85 3.2018 0 0 6\par 27.96 3.53 3.1907 -3 1 4\par 27.99 5.63 3.1875 6 0 2\par 28.24 12.13 3.1600 5 1 1\par 28.67 6.05 3.1140 -2 0 6\par 28.73 2.44 3.1068 -5 1 2\par 29.03 35.65 3.0759 3 1 4\par 29.09 7.79 3.0692 -1 1 5\par 30.94 1.66 2.8899 -6 0 4\par 31.20 2.37 2.8667 -3 1 5\par 31.62 4.37 2.8292 5 1 3\par 31.94 1.12 2.8023 -4 0 6\par 32.66 9.85 2.7420 -5 1 4\par 32.87 1.04 2.7250 6 0 4\par 32.99 8.42 2.7151 -1 1 6\par 34.20 1.73 2.6221 5 1 4\par 34.63 5.40 2.5900 8 0 0\par 34.81 2.02 2.5772 -3 1 6\par 34.81 4.24 2.5770 0 2 0\par 34.96 3.94 2.5668 7 1 0\par 35.33 1.29 2.5406 -8 0 2\par 35.44 2.42 2.5332 -5 1 5\par 36.09 1.48 2.4890 0 2 2\par 36.15 1.90 2.4846 -2 2 1\par 37.03 3.87 2.4280 -7 1 3\par 37.22 1.23 2.4155 5 1 5\par 37.29 3.34 2.4113 2 2 2\par 38.48 1.51 2.3396 7 1 3\par 38.63 1.44 2.3307 -5 1 6\par 38.88 3.98 2.3161 -7 1 4\par 39.02 1.22 2.3081 2 0 8\par 39.04 4.22 2.3073 4 2 0\par 39.20 1.12 2.2983 -4 2 1\par 39.93 1.49 2.2576 -4 2 2\par 40.41 2.54 2.2320 -4 0 8\par 40.46 1.51 2.2295 4 2 2\par 41.99 1.02 2.1518 4 2 3\par 42.85 9.23 2.1103 -3 1 8\par 43.02 1.72 2.1025 -9 1 1\par 43.02 1.27 2.1025 -4 2 4\par 43.03 1.38 2.1021 9 1 0\par 43.55 2.44 2.0781 -9 1 2\par 43.69 2.03 2.0720 10 0 0\par 44.01 1.98 2.0577 4 2 4\par 44.33 1.64 2.0432 5 1 7\par 45.16 3.49 2.0075 0 2 6\par 45.25 5.95 2.0040 6 2 2\par 45.65 1.03 1.9872 -6 2 3\par 46.00 1.54 1.9732 -5 1 8\par 47.20 1.81 1.9256 -3 1 9\par 47.26 9.13 1.9234 -6 2 4\par 47.32 2.09 1.9211 0 0 10\par 48.23 1.98 1.8869 9 1 4\par 48.31 1.06 1.8840 5 1 8\par 48.74 3.53 1.8683 3 1 9\par 49.92 2.22 1.8268 8 2 0\par 50.67 2.98 1.8017 9 1 5\par 51.19 1.94 1.7845 1 1 10\par 51.78 1.13 1.7656 -6 2 6\par 52.20 1.58 1.7525 11 1 1\par 52.43 2.87 1.7452 -2 2 8\par 53.10 2.86 1.7248 -6 0 10\par 53.18 1.27 1.7222 11 1 2\par 53.38 1.84 1.7163 -9 1 7\par 53.65 1.08 1.7084 7 1 8\par 53.69 3.61 1.7070 6 2 6\par 54.20 1.59 1.6924 10 0 6\par 54.20 1.69 1.6924 -11 1 4\par 54.41 1.86 1.6863 -7 1 9\par 54.58 2.44 1.6814 12 0 2\par 55.42 1.04 1.6579 -12 0 4\par 56.46 1.12 1.6297 11 1 4\par 57.01 1.91 1.6153 -1 3 4\par 57.03 8.90 1.6148 10 2 0\par 57.57 2.87 1.6009 0 0 12\par 58.91 2.42 1.5678 3 3 4\par 58.95 1.39 1.5669 -1 3 5\par 60.17 4.81 1.5380 6 2 8\par 60.31 3.93 1.5346 -2 2 10\par 61.89 1.90 1.4992 8 0 10\par 62.78 1.15 1.4800 14 0 0\par 63.75 1.31 1.4598 -9 1 10\par 63.91 1.86 1.4567 4 2 10\par 64.27 1.35 1.4493 1 3 7\par 64.49 1.63 1.4449 -12 0 8\par 65.27 1.04 1.4295 -12 2 2\par 65.38 1.95 1.4274 13 1 4\par 71.12 1.64 1.3257 -12 0 10\par 71.58 1.12 1.3183 1 1 14\par 73.50 1.50 1.2885 0 4 0\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 }