Brendelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130059 Krause W, Bernhardt H J, McCammon C, Effenberger H Mineralogy and Petrology 63 (1998) 263-277 Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from Schneeberg, Germany: description and crystal structure Locality: Schneeberg, Germany _database_code_amcsd 0014642 CELL PARAMETERS: 12.3280 3.8240 6.9270 90.000 111.360 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Bi 0.76119 0.00000 0.22804 0.500 2.013 Pb 0.76119 0.00000 0.22804 0.500 2.013 Fe 0.00000 0.00000 0.00000 1.000 1.350 P 0.52850 0.00000 0.39420 0.500 1.579 Oo 0.16990 0.00000 0.01970 1.000 1.895 OH 0.52550 0.00000 0.10440 0.500 1.342 Op 0.39930 0.00000 0.35670 1.000 1.816 Op 0.56380 0.33200 0.30200 0.500 2.053 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 3 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 129.4982664 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.73 16.04 6.4512 0 0 1 15.44 77.97 5.7406 2 0 0 16.51 6.38 5.3680 -2 0 1 24.54 1.35 3.6281 1 1 0 26.30 52.24 3.3880 -2 0 2 26.77 42.04 3.3303 -1 1 1 27.66 26.16 3.2256 0 0 2 29.08 14.46 3.0705 -4 0 1 29.61 100.00 3.0174 1 1 1 31.16 36.49 2.8703 4 0 0 32.43 62.15 2.7609 -3 1 1 33.12 2.18 2.7051 3 1 0 33.38 13.80 2.6840 -4 0 2 35.03 2.28 2.5615 -1 1 2 36.59 20.38 2.4559 2 0 2 37.49 6.25 2.3989 -3 1 2 39.01 8.00 2.3089 -2 0 3 39.29 29.93 2.2930 3 1 1 39.46 4.35 2.2836 1 1 2 42.36 4.30 2.1339 -4 0 3 43.68 12.47 2.0721 -5 1 1 45.46 8.77 1.9952 -6 0 2 45.90 3.43 1.9772 -5 1 2 46.11 5.00 1.9686 5 1 0 46.55 19.39 1.9510 -1 1 3 46.71 10.14 1.9448 -3 1 3 47.52 4.73 1.9135 6 0 0 47.56 15.55 1.9120 0 2 0 49.61 4.71 1.8375 4 0 2 49.74 1.22 1.8332 0 2 1 50.30 8.52 1.8140 2 2 0 50.45 1.41 1.8089 2 0 3 51.04 5.87 1.7893 -6 0 3 51.86 8.41 1.7630 1 1 3 52.30 8.35 1.7494 -5 1 3 52.68 16.07 1.7375 5 1 1 53.10 2.93 1.7249 -2 0 4 54.14 3.20 1.6940 -4 0 4 55.16 12.96 1.6651 -2 2 2 55.90 4.91 1.6448 0 2 2 56.72 2.33 1.6230 -4 2 1 57.11 3.70 1.6128 0 0 4 57.96 10.20 1.5913 4 2 0 57.99 6.54 1.5905 -7 1 1 58.24 7.83 1.5840 -7 1 2 58.61 1.83 1.5751 -3 1 4 59.35 3.61 1.5573 -4 2 2 60.03 6.70 1.5410 -1 1 4 60.28 1.29 1.5352 -8 0 2 60.80 2.62 1.5235 -8 0 1 61.46 7.65 1.5087 2 2 2 61.62 8.30 1.5051 3 1 3 61.96 6.22 1.4977 -5 1 4 62.27 2.05 1.4910 -7 1 3 63.14 2.90 1.4726 -2 2 3 63.49 1.13 1.4653 -8 0 3 64.98 2.36 1.4351 8 0 0 65.11 4.89 1.4326 6 0 2 65.55 1.39 1.4240 -4 2 3 65.58 2.28 1.4235 2 0 4 67.90 3.85 1.3805 -6 2 2 67.94 2.10 1.3796 -4 0 5 68.50 2.08 1.3698 7 1 1 69.50 2.00 1.3525 6 2 0 69.68 1.87 1.3494 -7 1 4 71.17 2.89 1.3249 4 2 2 72.33 3.86 1.3065 -6 2 3 72.61 1.41 1.3021 -3 1 5 73.38 1.16 1.2902 0 0 5 73.47 1.22 1.2889 -9 1 2 74.02 2.10 1.2807 -2 2 4 74.63 1.60 1.2717 -9 1 1 74.88 1.55 1.2681 5 1 3 74.89 1.50 1.2679 -4 2 4 75.28 1.29 1.2624 -1 1 5 75.96 1.64 1.2527 -1 3 1 77.34 4.38 1.2338 1 3 1 77.41 2.26 1.2328 0 2 4 77.78 1.55 1.2280 4 0 4 78.83 2.72 1.2142 -3 3 1 78.93 1.70 1.2128 -10 0 3 79.83 1.47 1.2014 -8 0 5 80.10 1.06 1.1982 -7 1 5 80.18 1.12 1.1971 -8 2 2 80.64 1.73 1.1915 -8 2 1 81.25 2.62 1.1841 -9 1 4 82.11 1.87 1.1738 1 1 5 82.90 1.61 1.1646 3 3 1 84.39 2.17 1.1478 8 2 0 84.51 3.25 1.1465 6 2 2 84.93 1.60 1.1418 2 2 4 85.82 1.38 1.1323 -5 3 1 86.87 2.30 1.1213 9 1 1 87.11 1.76 1.1188 -4 2 5 87.85 1.76 1.1112 -1 3 3 87.97 1.01 1.1101 -3 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.