Melanotekite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090032 Dorsam G, Liebscher A, Wunder B, Franz G American Mineralogist 93 (2008) 573-583 Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9) Locality: synthetic CELL PARAMETERS: 6.9870 11.0450 10.0650 90.000 90.000 90.000 SPACE GROUP: Pbcn ATOM X Y Z OCCUPANCY ISO(B) Pb 0.44820 0.30160 0.54940 0.700 0.821 Pb 0.51210 0.30880 0.54990 0.300 2.369 Fe 0.50000 0.00000 0.00000 1.000 0.553 Fe 0.50000 0.15210 0.25000 1.000 0.576 Si 0.21510 -0.08640 0.25030 1.000 0.490 O 0.34140 0.01090 0.33470 1.000 0.576 O 0.30390 -0.10830 0.10190 1.000 1.011 O 0.19150 -0.22010 0.32270 1.000 0.955 O 0.00000 -0.02440 0.25000 1.000 1.571 O 0.61460 0.14810 0.42590 1.000 0.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 10 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 75.16259860 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.05 52.93 5.5225 0 2 0 17.41 3.71 5.0930 1 1 1 17.62 47.30 5.0325 0 0 2 18.32 5.56 4.8416 0 2 1 21.76 2.14 4.0835 1 0 2 22.34 3.66 3.9795 1 2 1 23.22 3.54 3.8301 1 1 2 23.92 39.59 3.7197 0 2 2 25.50 45.79 3.4935 2 0 0 27.16 1.78 3.2834 1 2 2 27.38 56.03 3.2571 1 3 0 28.22 20.28 3.1622 2 1 1 28.81 8.44 3.0989 1 3 1 30.27 24.03 2.9524 2 2 0 30.65 100.00 2.9170 1 1 3 31.17 45.48 2.8698 2 0 2 31.19 17.43 2.8673 0 2 3 31.58 28.29 2.8330 2 2 1 32.42 1.21 2.7613 0 4 0 32.75 98.36 2.7344 1 3 2 33.66 13.76 2.6629 0 4 1 35.24 11.06 2.5465 2 2 2 35.68 9.51 2.5162 0 0 4 36.10 6.59 2.4883 1 4 1 36.56 3.93 2.4575 2 3 1 37.14 5.14 2.4208 0 4 2 38.01 6.75 2.3674 1 0 4 38.07 1.54 2.3638 2 1 3 38.52 7.70 2.3370 1 3 3 39.39 1.89 2.2874 1 4 2 40.59 1.86 2.2226 3 1 1 40.71 3.86 2.2164 2 2 3 41.50 1.75 2.1759 1 2 4 41.69 2.45 2.1663 2 4 0 42.40 11.04 2.1320 0 4 3 42.69 4.61 2.1178 2 4 1 42.78 3.09 2.1136 3 0 2 42.94 17.13 2.1062 1 5 0 43.10 7.64 2.0988 3 2 1 43.60 1.31 2.0760 3 1 2 44.37 7.29 2.0418 2 0 4 45.55 2.45 1.9913 1 3 4 45.59 5.57 1.9898 2 4 2 45.98 4.04 1.9740 3 2 2 46.12 5.43 1.9682 3 3 0 46.75 17.40 1.9429 1 5 2 47.73 21.72 1.9053 1 1 5 48.11 8.85 1.8913 0 2 5 48.28 12.18 1.8851 3 1 3 49.52 3.39 1.8408 0 6 0 49.74 25.70 1.8330 3 3 2 50.13 13.26 1.8199 2 4 3 50.48 1.31 1.8078 3 2 3 51.16 3.01 1.7856 2 3 4 52.18 7.22 1.7531 3 4 1 52.18 1.38 1.7529 1 6 1 52.26 2.58 1.7505 2 5 2 52.38 4.26 1.7467 4 0 0 52.97 3.41 1.7288 0 6 2 53.51 10.00 1.7124 1 3 5 53.62 3.62 1.7092 3 0 4 53.92 6.00 1.7005 4 1 1 54.01 2.93 1.6977 3 3 3 54.31 1.94 1.6891 3 1 4 54.72 1.24 1.6775 0 0 6 55.23 13.97 1.6632 2 2 5 56.35 3.50 1.6328 3 2 4 56.51 7.43 1.6286 2 6 0 56.58 17.72 1.6266 0 4 5 57.07 7.23 1.6139 0 6 3 57.41 1.23 1.6051 0 2 6 57.50 3.37 1.6027 3 5 0 58.71 2.23 1.5726 3 4 3 59.27 2.66 1.5591 4 3 1 60.12 10.08 1.5391 1 7 0 60.32 3.32 1.5343 4 1 3 60.64 1.38 1.5272 3 5 2 61.46 4.79 1.5087 3 1 5 61.59 2.42 1.5058 4 3 2 61.88 2.51 1.4994 2 5 4 63.04 9.71 1.4746 2 4 5 63.17 4.52 1.4718 1 7 2 63.50 6.60 1.4651 2 6 3 63.72 1.43 1.4606 4 4 1 63.82 2.82 1.4585 2 2 6 65.00 2.27 1.4349 4 0 4 65.06 1.35 1.4337 0 4 6 65.27 2.53 1.4295 3 6 1 65.95 1.96 1.4165 4 4 2 66.88 4.04 1.3989 1 7 3 66.89 1.17 1.3988 2 3 6 66.98 8.90 1.3970 1 1 7 67.29 1.84 1.3915 0 2 7 67.89 1.19 1.3806 0 8 0 68.65 2.98 1.3672 2 6 4 68.99 1.90 1.3612 3 0 6 69.15 3.54 1.3585 0 6 5 70.09 1.30 1.3426 5 2 1 70.43 1.89 1.3369 4 3 4 70.76 1.65 1.3314 0 8 2 71.06 1.21 1.3265 3 6 3 71.34 1.02 1.3220 4 5 2 71.37 1.92 1.3216 3 2 6 71.76 1.13 1.3154 1 3 7 71.91 2.10 1.3130 1 7 4 71.96 1.82 1.3122 1 5 6 72.34 1.18 1.3063 3 7 0 73.80 1.48 1.2840 2 8 0 73.98 1.55 1.2813 5 1 3 74.29 1.17 1.2767 0 8 3 74.38 1.05 1.2753 0 4 7 75.02 3.30 1.2661 2 6 5 75.13 1.55 1.2645 5 3 2 75.14 2.09 1.2644 3 7 2 76.26 1.57 1.2485 2 7 4 76.31 1.06 1.2478 2 5 6 76.58 2.40 1.2441 2 8 2 77.08 2.53 1.2374 5 4 1 77.59 1.17 1.2305 1 1 8 77.87 2.69 1.2267 0 2 8 78.18 2.79 1.2227 1 7 5 78.25 1.04 1.2217 5 0 4 78.59 2.38 1.2173 3 7 3 78.69 3.18 1.2160 3 1 7 79.68 2.38 1.2033 4 5 4 79.94 1.19 1.2001 1 9 1 80.11 3.68 1.1980 2 4 7 80.53 1.91 1.1928 5 2 4 80.72 2.25 1.1904 4 4 5 81.14 1.20 1.1854 4 6 3 82.12 2.71 1.1736 1 3 8 82.54 1.03 1.1687 5 4 3 83.03 1.11 1.1630 4 7 1 83.53 1.85 1.1574 2 2 8 84.15 2.28 1.1505 6 1 1 84.17 1.07 1.1503 2 9 1 84.24 1.51 1.1494 4 3 6 85.36 2.79 1.1372 1 9 3 85.74 1.57 1.1332 0 6 7 88.35 2.02 1.1063 5 6 1 88.53 1.62 1.1045 0 10 0 88.84 1.13 1.1014 3 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.