Beudantite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070190 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: 7.3230 7.3230 17.0250 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 WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 81.57742267 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.91 74.89 5.9430 1 0 1 15.61 7.61 5.6750 0 0 3 17.44 1.44 5.0857 0 1 2 24.31 40.15 3.6615 1 1 0 25.20 6.74 3.5341 1 0 4 28.64 2.72 3.1173 0 2 1 29.02 100.00 3.0767 1 1 3 29.78 3.10 3.0000 0 1 5 30.07 16.70 2.9715 2 0 2 31.53 17.09 2.8375 0 0 6 35.30 16.50 2.5428 0 2 4 37.91 8.04 2.3736 2 1 1 39.04 7.20 2.3073 1 2 2 39.69 23.47 2.2709 1 0 7 40.21 10.76 2.2429 1 1 6 42.78 3.34 2.1140 3 0 0 43.32 4.37 2.0886 2 1 4 45.80 19.85 1.9810 0 3 3 45.80 5.61 1.9810 3 0 3 46.32 3.28 1.9600 1 2 5 49.81 19.03 1.8307 2 2 0 51.73 3.47 1.7671 2 0 8 52.29 2.01 1.7496 1 3 1 53.69 5.84 1.7072 2 1 7 54.10 1.77 1.6952 0 3 6 54.10 1.82 1.6952 3 0 6 54.61 9.13 1.6806 1 1 9 55.92 2.09 1.6443 1 0 10 59.12 2.53 1.5627 3 1 5 59.29 2.92 1.5587 0 4 2 60.15 11.68 1.5383 2 2 6 61.86 9.98 1.5000 0 2 10 62.51 3.01 1.4857 4 0 4 64.25 1.48 1.4496 3 2 1 65.49 3.41 1.4253 1 3 7 66.31 3.56 1.4097 0 3 9 66.31 1.38 1.4097 3 0 9 67.48 1.17 1.3880 2 1 10 67.70 2.28 1.3839 4 1 0 69.97 3.24 1.3445 1 4 3 69.97 4.68 1.3445 4 1 3 71.29 1.38 1.3229 1 1 12 73.89 1.93 1.2826 1 0 13 76.26 3.70 1.2486 3 2 7 78.13 1.64 1.2233 1 3 10 83.28 1.87 1.1603 4 0 10 84.26 2.90 1.1493 2 1 13 86.86 2.35 1.1214 2 2 12 87.29 1.40 1.1169 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.