Anglesite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050052 Miyake M, Minato I, Morikawa H, Iwai S I American Mineralogist 63 (1978) 506-510 Crystal structure and sulphate force constants of barite, celesite, and anglesite CELL PARAMETERS: 6.9598 8.4801 5.3974 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.16670 0.18790 0.25000 1.000 1.484 S 0.18420 0.43670 0.75000 1.000 0.738 O 0.09600 0.59200 0.75000 1.000 1.871 O 0.04300 0.30600 0.75000 1.000 1.755 O 0.30900 0.41800 0.97400 1.000 1.338 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 91.87239060 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.48 2.80 5.3799 1 1 0 20.83 79.77 4.2651 1 0 1 20.95 30.17 4.2400 0 2 0 23.35 53.98 3.8103 1 1 1 24.58 21.70 3.6210 1 2 0 25.60 27.83 3.4799 2 0 0 26.74 82.72 3.3343 0 2 1 27.71 68.36 3.2194 2 1 0 29.71 100.00 3.0070 1 2 1 32.38 37.04 2.7649 2 1 1 33.20 46.36 2.6987 0 0 2 33.31 1.95 2.6899 2 2 0 34.24 10.09 2.6189 1 3 0 37.35 17.75 2.4075 2 2 1 38.20 1.92 2.3562 1 3 1 39.59 19.95 2.2767 0 2 2 40.30 5.09 2.2377 3 1 0 41.14 6.37 2.1941 2 3 0 41.74 28.84 2.1638 1 2 2 42.38 5.59 2.1326 2 0 2 43.77 47.41 2.0682 2 1 2 43.80 51.92 2.0671 3 1 1 44.58 35.86 2.0325 2 3 1 44.68 32.89 2.0280 1 4 0 45.99 22.69 1.9733 0 4 1 47.74 3.98 1.9052 2 2 2 48.43 7.51 1.8794 1 3 2 50.92 18.69 1.7933 3 3 0 52.54 8.73 1.7419 1 0 3 52.60 2.20 1.7399 4 0 0 53.37 2.94 1.7165 2 4 1 53.72 4.80 1.7063 1 1 3 53.78 8.90 1.7044 4 1 0 53.85 1.46 1.7024 2 3 2 53.87 8.02 1.7018 3 3 1 55.48 7.60 1.6562 0 2 3 55.79 2.59 1.6478 1 5 0 56.63 4.09 1.6253 4 1 1 56.78 18.86 1.6213 1 4 2 57.17 11.68 1.6112 1 2 3 57.23 1.18 1.6097 4 2 0 58.57 1.05 1.5760 1 5 1 58.80 6.31 1.5705 2 1 3 59.97 1.87 1.5425 4 2 1 62.06 2.63 1.4955 2 2 3 62.15 18.90 1.4936 3 3 2 63.40 9.56 1.4672 2 5 1 63.63 2.46 1.4624 4 0 2 64.68 12.74 1.4411 4 1 2 65.30 7.37 1.4289 4 3 1 66.48 3.87 1.4064 1 5 2 66.71 11.28 1.4021 3 1 3 67.30 8.63 1.3912 2 3 3 67.64 1.67 1.3851 1 6 0 67.79 1.25 1.3824 4 2 2 68.39 6.41 1.3718 0 4 3 68.54 5.90 1.3692 3 5 0 68.64 5.18 1.3673 0 6 1 69.69 5.72 1.3493 0 0 4 69.77 4.38 1.3479 5 0 1 70.15 6.75 1.3416 1 6 1 70.78 1.66 1.3311 5 1 1 71.03 2.92 1.3271 3 5 1 71.31 1.75 1.3225 5 2 0 72.42 2.60 1.3051 4 4 1 73.68 1.66 1.2858 0 2 4 73.76 5.07 1.2845 5 2 1 74.33 1.33 1.2762 2 4 3 74.57 1.48 1.2726 2 6 1 74.74 3.30 1.2701 3 3 3 75.14 1.92 1.2644 1 2 4 75.58 1.74 1.2581 2 0 4 76.01 2.01 1.2520 0 6 2 76.25 1.17 1.2488 5 3 0 76.56 5.94 1.2445 2 1 4 77.08 2.00 1.2373 4 1 3 77.45 2.17 1.2323 1 6 2 78.30 10.31 1.2210 3 5 2 78.64 1.03 1.2166 5 3 1 79.99 1.46 1.1995 1 3 4 80.96 2.71 1.1876 5 2 2 81.18 4.05 1.1849 4 5 1 82.99 3.59 1.1636 5 4 0 83.03 3.43 1.1631 2 5 3 83.30 2.24 1.1600 6 0 0 84.73 2.76 1.1441 2 7 0 84.76 3.10 1.1438 4 3 3 85.72 1.66 1.1333 5 3 2 86.67 6.73 1.1234 1 4 4 87.07 1.45 1.1192 2 7 1 87.11 1.08 1.1189 6 2 0 87.84 2.29 1.1114 0 6 3 88.89 2.05 1.1009 5 0 3 89.24 2.64 1.0975 1 6 3 89.45 3.95 1.0956 6 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.