Barysilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070651 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: 9.7870 9.7870 38.3090 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: 89.35115813 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.42 8.34 7.7509 0 1 2 13.87 41.91 6.3848 0 0 6 13.95 10.79 6.3472 1 0 4 19.43 47.33 4.5695 1 1 3 21.31 12.09 4.1692 0 1 8 21.48 47.42 4.1378 2 0 2 22.90 31.81 3.8840 1 1 6 22.95 46.00 3.8754 0 2 4 25.52 47.24 3.4909 1 0 10 27.78 48.00 3.2116 1 1 9 27.95 27.25 3.1924 0 0 12 27.95 1.21 3.1924 2 1 1 28.12 10.60 3.1736 2 0 8 28.24 82.38 3.1597 1 2 2 29.40 20.88 3.0381 2 1 4 30.24 100.00 2.9556 1 2 5 31.67 48.47 2.8253 3 0 0 32.38 77.64 2.7647 2 1 7 33.52 87.86 2.6738 1 1 12 34.44 9.60 2.6040 0 1 14 34.72 4.18 2.5836 0 3 6 34.72 5.98 2.5836 3 0 6 38.17 6.48 2.3578 1 2 11 38.36 8.92 2.3463 1 3 1 39.09 17.86 2.3041 1 0 16 39.44 7.00 2.2847 2 2 6 39.81 13.20 2.2641 1 1 15 42.86 4.01 2.1102 3 1 8 42.94 20.93 2.1061 0 4 2 43.41 1.41 2.0846 0 2 16 43.50 3.95 2.0807 1 2 14 43.75 5.74 2.0689 4 0 4 45.26 16.47 2.0036 1 3 10 46.53 9.05 1.9517 1 1 18 46.61 1.46 1.9484 3 1 11 46.78 31.19 1.9420 2 2 12 46.78 5.70 1.9420 3 2 1 46.89 6.37 1.9377 0 4 8 46.97 10.82 1.9345 2 3 2 47.73 10.66 1.9056 3 2 4 48.29 17.48 1.8847 2 3 5 49.14 33.37 1.8542 4 0 10 49.27 32.95 1.8496 4 1 0 49.45 28.35 1.8431 1 2 17 49.61 5.02 1.8377 1 3 13 49.76 20.00 1.8323 3 2 7 49.82 2.30 1.8305 1 4 3 49.82 7.45 1.8305 4 1 3 50.67 2.80 1.8016 2 3 8 51.23 8.85 1.7831 3 1 14 51.44 10.55 1.7765 1 4 6 51.44 2.96 1.7765 4 1 6 52.42 1.66 1.7454 2 0 20 52.80 1.42 1.7339 3 2 10 53.62 13.24 1.7093 1 1 21 53.72 17.26 1.7064 2 1 19 53.94 2.19 1.6999 0 3 18 54.01 6.27 1.6978 2 3 11 54.06 2.13 1.6963 1 4 9 54.72 8.13 1.6774 1 3 16 54.79 19.52 1.6754 0 4 14 56.72 1.72 1.6230 3 2 13 56.91 6.12 1.6180 3 3 3 57.19 4.39 1.6107 0 2 22 57.38 3.97 1.6058 2 2 18 57.76 9.08 1.5962 0 0 24 57.76 13.89 1.5962 4 2 2 58.13 14.24 1.5868 4 0 16 58.39 1.74 1.5804 3 3 6 59.64 7.15 1.5502 0 5 10 60.52 10.12 1.5299 2 1 22 60.81 6.07 1.5232 3 3 9 61.00 2.15 1.5190 4 2 8 61.06 6.23 1.5175 1 5 2 61.70 1.33 1.5034 5 1 4 61.95 2.91 1.4980 4 1 15 62.17 6.25 1.4931 1 5 5 62.89 3.44 1.4778 1 2 23 63.16 5.89 1.4722 2 3 17 63.42 6.35 1.4666 5 1 7 64.11 11.50 1.4525 3 3 12 64.68 3.10 1.4410 5 0 14 66.84 8.89 1.3996 3 2 19 67.04 1.70 1.3961 4 1 18 67.28 1.23 1.3917 2 0 26 67.38 5.66 1.3897 0 3 24 67.38 3.33 1.3897 3 0 24 67.73 1.09 1.3835 0 5 16 67.79 2.51 1.3824 4 2 14 67.96 5.40 1.3793 6 0 6 68.22 2.44 1.3747 3 3 15 69.12 1.04 1.3590 3 1 23 69.67 2.21 1.3496 2 5 3 69.67 7.22 1.3496 5 2 3 69.92 1.08 1.3453 4 0 22 70.33 1.94 1.3386 1 2 26 70.77 1.25 1.3313 2 4 16 71.00 3.36 1.3276 2 5 6 72.13 4.60 1.3095 4 3 10 72.61 3.47 1.3020 0 2 28 72.92 2.76 1.2972 3 2 22 73.09 2.33 1.2947 3 3 18 73.15 1.03 1.2937 3 4 11 73.20 7.35 1.2931 2 5 9 73.20 2.89 1.2931 5 2 9 73.28 4.74 1.2918 6 0 12 73.28 3.58 1.2918 0 6 12 73.28 1.48 1.2918 1 6 1 73.42 2.04 1.2896 6 1 2 73.82 1.38 1.2837 1 3 25 74.00 3.79 1.2809 1 6 4 74.44 4.47 1.2745 6 1 5 75.10 3.57 1.2650 2 3 23 75.34 2.98 1.2614 1 5 17 75.57 3.83 1.2582 2 1 28 75.59 5.42 1.2579 1 6 7 76.23 6.30 1.2490 2 5 12 76.23 5.73 1.2490 5 2 12 76.27 1.71 1.2485 3 1 26 76.76 2.15 1.2417 3 4 14 77.72 1.14 1.2288 4 2 20 78.12 2.86 1.2234 4 4 0 78.29 4.42 1.2212 1 2 29 78.69 4.62 1.2160 3 3 21 78.77 3.24 1.2149 5 1 19 79.02 1.32 1.2118 6 1 11 79.18 5.64 1.2097 0 4 26 79.28 5.53 1.2084 4 1 24 79.28 4.22 1.2084 1 4 24 80.07 3.82 1.1985 5 2 15 81.68 6.57 1.1789 2 4 22 81.84 4.34 1.1770 0 6 18 82.06 1.14 1.1744 2 3 26 82.10 1.12 1.1739 0 7 8 82.98 1.43 1.1636 3 0 30 83.78 1.13 1.1545 3 5 10 83.92 4.77 1.1530 2 1 31 84.24 1.46 1.1494 4 0 28 84.54 3.99 1.1461 5 1 22 84.70 3.63 1.1443 5 2 18 86.08 5.10 1.1295 1 1 33 86.74 1.21 1.1226 7 1 0 86.88 1.66 1.1212 6 1 17 87.10 2.98 1.1189 3 2 28 87.30 1.42 1.1169 1 0 34 89.74 1.39 1.0927 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.