Barysilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050002 Lajzerowicz J Acta Crystallographica 20 (1965) 357-363 Etude par diffraction des rayons X et absorption infra-rouge de la barysilite, MnPb8.3Si2O7, et de composes isomorphes CELL PARAMETERS: 9.7901 9.7901 38.3440 90.000 90.000 120.000 SPACE GROUP: R-3c ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25600 0.23600 0.03930 1.000 0.500 Pb 0.00000 0.00000 0.16290 1.000 0.900 Mn 0.00000 0.00000 0.25000 1.000 0.300 Si 0.68000 0.68000 0.04300 1.000 11.000 O 0.61000 0.00000 0.25000 1.000 0.200 O 0.79000 0.83000 0.01900 1.000 -0.100 O 0.73000 0.55000 0.05000 1.000 0.300 O 0.52000 0.60000 0.02300 1.000 0.800 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 35 MAX. ABS. INTENSITY / VOLUME**2: 89.17038096 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.41 8.34 7.7541 0 1 2 13.86 41.95 6.3907 0 0 6 13.94 10.80 6.3508 1 0 4 19.42 47.32 4.5713 1 1 3 21.29 12.10 4.1724 0 1 8 21.47 47.41 4.1393 2 0 2 22.88 31.82 3.8861 1 1 6 22.94 46.00 3.8770 0 2 4 25.50 47.29 3.4937 1 0 10 27.76 48.02 3.2137 1 1 9 27.92 27.29 3.1953 0 0 12 27.94 1.21 3.1934 2 1 1 28.10 10.61 3.1754 2 0 8 28.23 82.36 3.1607 1 2 2 29.39 20.87 3.0392 2 1 4 30.23 100.00 2.9568 1 2 5 31.66 48.46 2.8262 3 0 0 32.37 77.66 2.7660 2 1 7 33.49 87.95 2.6757 1 1 12 34.41 9.61 2.6062 0 1 14 34.71 4.18 2.5847 0 3 6 34.71 5.98 2.5847 3 0 6 38.15 6.49 2.3591 1 2 11 38.35 8.92 2.3471 1 3 1 39.06 17.88 2.3061 1 0 16 39.42 7.00 2.2856 2 2 6 39.78 13.21 2.2659 1 1 15 42.84 4.01 2.1111 3 1 8 42.93 20.93 2.1068 0 4 2 43.37 1.41 2.0862 0 2 16 43.46 3.96 2.0820 1 2 14 43.74 5.74 2.0696 4 0 4 45.24 16.48 2.0046 1 3 10 46.49 9.07 1.9533 1 1 18 46.59 1.46 1.9494 3 1 11 46.75 31.21 1.9430 2 2 12 46.76 5.70 1.9426 3 2 1 46.87 6.38 1.9385 0 4 8 46.95 10.82 1.9352 2 3 2 47.71 10.66 1.9062 3 2 4 48.27 17.49 1.8854 2 3 5 49.11 33.39 1.8551 4 0 10 49.25 32.95 1.8502 4 1 0 49.41 28.38 1.8445 1 2 17 49.58 5.03 1.8387 1 3 13 49.74 20.00 1.8330 3 2 7 49.80 2.30 1.8311 1 4 3 49.80 7.46 1.8311 4 1 3 50.65 2.80 1.8023 2 3 8 51.20 8.86 1.7841 3 1 14 51.42 10.55 1.7772 1 4 6 51.42 2.97 1.7772 4 1 6 52.38 1.66 1.7469 2 0 20 52.77 1.42 1.7347 3 2 10 53.57 13.26 1.7108 1 1 21 53.67 17.28 1.7077 2 1 19 53.90 2.19 1.7011 0 3 18 53.98 6.27 1.6986 2 3 11 54.04 2.13 1.6970 1 4 9 54.68 8.14 1.6784 1 3 16 54.76 19.53 1.6763 0 4 14 56.69 1.72 1.6238 3 2 13 56.89 6.12 1.6185 3 3 3 57.14 4.40 1.6120 0 2 22 57.34 3.97 1.6068 2 2 18 57.70 9.10 1.5977 0 0 24 57.74 13.89 1.5967 4 2 2 58.10 14.26 1.5877 4 0 16 58.37 1.74 1.5810 3 3 6 59.62 7.16 1.5508 0 5 10 60.46 10.13 1.5311 2 1 22 60.79 6.08 1.5238 3 3 9 60.97 2.15 1.5196 4 2 8 61.04 6.23 1.5180 1 5 2 61.68 1.33 1.5039 5 1 4 61.91 2.92 1.4988 4 1 15 62.15 6.25 1.4936 1 5 5 62.83 3.44 1.4790 1 2 23 63.12 5.90 1.4730 2 3 17 63.40 6.35 1.4671 5 1 7 64.08 11.50 1.4532 3 3 12 64.65 3.10 1.4417 5 0 14 66.80 8.90 1.4005 3 2 19 66.99 1.70 1.3969 4 1 18 67.21 1.24 1.3929 2 0 26 67.32 5.67 1.3908 0 3 24 67.32 3.34 1.3908 3 0 24 67.69 1.09 1.3842 0 5 16 67.76 2.51 1.3830 4 2 14 67.94 5.40 1.3798 6 0 6 68.18 2.44 1.3754 3 3 15 69.06 1.04 1.3600 3 1 23 69.64 2.21 1.3500 2 5 3 69.64 7.22 1.3500 5 2 3 69.87 1.08 1.3462 4 0 22 70.26 1.95 1.3397 1 2 26 70.73 1.25 1.3320 2 4 16 70.97 3.36 1.3280 2 5 6 72.10 4.60 1.3100 4 3 10 72.54 3.48 1.3031 0 2 28 72.87 2.76 1.2980 3 2 22 73.05 2.33 1.2954 3 3 18 73.12 1.03 1.2942 3 4 11 73.16 2.89 1.2936 5 2 9 73.16 7.35 1.2936 2 5 9 73.24 3.59 1.2923 0 6 12 73.24 4.74 1.2923 6 0 12 73.25 1.48 1.2922 1 6 1 73.40 2.04 1.2900 6 1 2 73.75 1.38 1.2847 1 3 25 73.98 3.79 1.2814 1 6 4 74.41 4.47 1.2750 6 1 5 75.04 3.57 1.2658 2 3 23 75.30 2.98 1.2621 1 5 17 75.50 3.84 1.2593 2 1 28 75.56 5.42 1.2584 1 6 7 76.19 6.30 1.2495 2 5 12 76.19 5.74 1.2495 5 2 12 76.20 1.71 1.2494 3 1 26 76.72 2.15 1.2422 3 4 14 77.66 1.14 1.2294 4 2 20 78.09 2.86 1.2238 4 4 0 78.21 4.43 1.2223 1 2 29 78.64 4.62 1.2167 3 3 21 78.72 3.24 1.2156 5 1 19 78.98 1.32 1.2123 6 1 11 79.11 5.64 1.2106 0 4 26 79.22 4.22 1.2092 1 4 24 79.22 5.53 1.2092 4 1 24 80.02 3.82 1.1990 5 2 15 81.62 6.58 1.1796 2 4 22 81.79 4.34 1.1776 0 6 18 81.99 1.14 1.1752 2 3 26 82.07 1.12 1.1743 0 7 8 82.90 1.44 1.1646 3 0 30 83.75 1.13 1.1550 3 5 10 83.84 4.78 1.1539 2 1 31 84.17 1.46 1.1502 4 0 28 84.48 4.00 1.1467 5 1 22 84.65 3.63 1.1449 5 2 18 85.99 5.11 1.1305 1 1 33 86.70 1.21 1.1230 7 1 0 86.83 1.67 1.1217 6 1 17 87.02 2.98 1.1197 3 2 28 87.20 1.42 1.1179 1 0 34 89.66 1.40 1.0935 2 3 29 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.