Beudantite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050522 Szymanski J T The Canadian Mineralogist 26 (1988) 923-932 The crystal structure of beudantite, Pb(Fe,Al)3((As,S)O4)2(OH)6 CELL PARAMETERS: 7.2894 7.2894 16.8630 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.03830 0.00000 0.00000 0.167 1.717 As 0.00000 0.00000 0.31490 0.535 0.724 S 0.00000 0.00000 0.31490 0.465 0.724 Fe 0.00000 0.50000 0.50000 0.847 0.661 Al 0.00000 0.50000 0.50000 0.153 0.661 O 0.00000 0.00000 0.40680 1.000 2.129 O 0.21450 0.42900 -0.05320 1.000 1.410 O 0.12540 0.25080 0.13430 1.000 0.957 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 83.41998308 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.97 / 15.01 75.28 / 37.64 5.9121 1 0 1 15.75 / 15.79 7.58 / 3.79 5.6210 0 0 3 17.54 / 17.58 1.44 / 0.72 5.0534 0 1 2 24.40 / 24.46 40.35 / 20.18 3.6447 1 1 0 25.38 / 25.45 6.72 / 3.36 3.5059 1 0 4 28.75 / 28.82 2.73 / 1.36 3.1025 0 2 1 29.18 / 29.25 100.00 / 50.00 3.0581 1 1 3 30.01 / 30.09 3.09 / 1.55 2.9747 0 1 5 30.21 / 30.29 16.75 / 8.37 2.9561 2 0 2 31.81 / 31.89 16.92 / 8.46 2.8105 0 0 6 35.50 / 35.59 16.48 / 8.24 2.5267 0 2 4 38.06 / 38.16 8.07 / 4.04 2.3625 2 1 1 39.21 / 39.31 7.19 / 3.60 2.2959 1 2 2 40.03 / 40.13 23.16 / 11.58 2.2507 1 0 7 40.50 / 40.60 10.69 / 5.35 2.2256 1 1 6 42.95 / 43.06 3.35 / 1.68 2.1043 3 0 0 43.55 / 43.66 4.36 / 2.18 2.0765 2 1 4 46.02 / 46.14 19.81 / 9.91 1.9707 0 3 3 46.02 / 46.14 5.62 / 2.81 1.9707 3 0 3 46.59 / 46.71 3.26 / 1.63 1.9478 1 2 5 50.01 / 50.14 19.03 / 9.52 1.8224 2 2 0 52.13 / 52.27 3.43 / 1.71 1.7529 2 0 8 52.50 / 52.64 2.01 / 1.01 1.7415 1 3 1 54.05 / 54.20 5.79 / 2.90 1.6952 2 1 7 54.42 / 54.57 1.76 / 0.88 1.6845 0 3 6 54.42 / 54.57 1.81 / 0.91 1.6845 3 0 6 55.06 / 55.21 9.00 / 4.50 1.6664 1 1 9 56.43 / 56.59 2.05 / 1.03 1.6292 1 0 10 59.43 / 59.59 2.50 / 1.25 1.5539 3 1 5 59.54 / 59.71 2.91 / 1.45 1.5513 0 4 2 60.50 / 60.66 11.61 / 5.81 1.5290 2 2 6 62.38 / 62.55 9.79 / 4.90 1.4873 0 2 10 62.82 / 62.99 3.00 / 1.50 1.4780 4 0 4 64.53 / 64.71 1.48 / 0.74 1.4429 3 2 1 65.89 / 66.08 3.38 / 1.69 1.4163 1 3 7 66.80 / 66.99 1.36 / 0.68 1.3993 3 0 9 66.80 / 66.99 3.51 / 1.76 1.3993 0 3 9 68.00 / 68.19 2.27 / 1.14 1.3776 4 1 0 68.02 / 68.21 1.16 / 0.58 1.3771 2 1 10 70.30 / 70.50 3.24 / 1.62 1.3380 1 4 3 70.30 / 70.50 4.67 / 2.33 1.3380 4 1 3 71.96 / 72.16 1.35 / 0.68 1.3112 1 1 12 74.63 / 74.85 1.89 / 0.95 1.2706 1 0 13 76.72 / 76.94 3.67 / 1.83 1.2412 3 2 7 78.72 / 78.95 1.62 / 0.81 1.2146 1 3 10 83.90 / 84.16 1.85 / 0.93 1.1523 4 0 10 85.05 / 85.31 2.86 / 1.43 1.1396 2 1 13 87.61 / 87.88 2.32 / 1.16 1.1128 2 2 12 87.90 / 88.17 1.40 / 0.70 1.1099 4 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.