Andalusite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060197 Winter J K, Ghose S American Mineralogist 64 (1979) 573-586 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 25 deg C CELL PARAMETERS: 7.7950 7.8970 5.5530 90.000 90.000 90.000 SPACE GROUP: Pnnm ATOM X Y Z OCCUPANCY ISO(B) Al 0.00000 0.00000 0.24190 1.000 0.506 Al 0.37050 0.13910 0.50000 1.000 0.404 Si 0.24600 0.25200 0.00000 1.000 0.359 Oa 0.42460 0.36290 0.00000 1.000 0.474 Ob 0.10300 0.40030 0.00000 1.000 0.659 Oc 0.42330 0.36290 0.50000 1.000 0.502 Od 0.23050 0.13390 0.23940 1.000 0.519 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.121169024 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.98 99.56 5.5476 1 1 0 19.54 69.86 4.5424 0 1 1 19.63 100.00 4.5227 1 0 1 22.52 3.26 3.9485 0 2 0 22.66 54.01 3.9247 1 1 1 22.82 4.41 3.8975 2 0 0 25.28 31.10 3.5224 1 2 0 25.49 25.22 3.4950 2 1 0 32.24 22.76 2.7765 0 0 2 32.27 71.80 2.7738 2 2 0 36.01 5.52 2.4940 1 3 0 36.18 33.14 2.4829 1 1 2 36.20 4.37 2.4814 2 2 1 36.40 24.18 2.4682 3 1 0 37.82 11.38 2.3786 0 3 1 38.24 10.56 2.3534 3 0 1 39.61 18.27 2.2751 1 3 1 39.68 37.09 2.2712 0 2 2 39.97 27.35 2.2554 3 1 1 41.41 26.10 2.1805 1 2 2 41.54 25.96 2.1740 2 1 2 41.61 31.98 2.1705 3 2 0 45.97 6.23 1.9742 0 4 0 46.61 3.68 1.9488 4 0 0 47.51 1.17 1.9138 1 4 0 48.09 5.00 1.8920 4 1 0 49.10 8.48 1.8554 1 3 2 50.44 6.87 1.8094 1 4 1 50.65 7.70 1.8022 0 1 3 50.69 3.70 1.8009 1 0 3 50.99 9.10 1.7909 4 1 1 52.09 1.99 1.7558 1 1 3 52.13 9.80 1.7545 3 3 1 53.41 3.10 1.7153 2 3 2 54.67 2.59 1.6788 2 4 1 57.26 4.37 1.6090 0 4 2 57.80 17.50 1.5951 4 0 2 59.74 3.44 1.5479 1 5 0 60.09 1.12 1.5397 2 2 3 60.12 20.70 1.5391 3 3 2 60.54 6.38 1.5295 5 1 0 60.99 1.32 1.5191 0 5 1 61.21 2.48 1.5141 0 3 3 61.29 3.26 1.5125 3 4 1 61.51 2.67 1.5076 3 0 3 61.52 3.75 1.5074 4 3 1 61.81 1.61 1.5010 5 0 1 62.26 11.87 1.4911 1 5 1 62.44 51.28 1.4872 2 4 2 62.49 6.49 1.4864 1 3 3 62.74 5.43 1.4808 3 1 3 62.83 13.73 1.4790 4 2 2 63.04 11.38 1.4746 5 1 1 63.56 4.47 1.4638 2 5 0 67.47 22.57 1.3882 0 0 4 67.54 12.39 1.3869 4 4 0 69.53 1.28 1.3520 1 5 2 69.84 2.01 1.3467 1 1 4 70.26 2.90 1.3397 5 1 2 70.82 2.89 1.3305 1 4 3 71.28 1.19 1.3231 4 1 3 72.21 3.89 1.3082 3 3 3 72.49 1.13 1.3039 5 3 1 72.80 1.92 1.2992 6 0 0 72.89 1.30 1.2978 1 6 0 73.08 8.55 1.2949 2 5 2 73.30 1.90 1.2916 1 2 4 73.39 1.83 1.2902 2 1 4 73.71 10.56 1.2853 5 2 2 73.94 1.21 1.2819 6 1 0 76.37 3.79 1.2470 2 6 0 76.78 9.35 1.2414 2 2 4 76.83 11.54 1.2407 4 4 2 77.32 4.67 1.2341 6 2 0 78.86 4.88 1.2138 3 5 2 78.92 1.69 1.2130 1 3 4 79.16 4.12 1.2100 3 1 4 80.30 1.67 1.1956 4 3 3 80.36 2.09 1.1949 5 4 1 80.56 1.19 1.1924 5 0 3 80.81 2.92 1.1893 0 6 2 80.97 6.65 1.1874 1 5 3 81.66 4.38 1.1790 5 1 3 81.86 4.98 1.1767 6 0 2 82.08 1.37 1.1741 3 6 0 82.48 2.87 1.1695 3 2 4 87.33 1.10 1.1165 1 7 0 89.04 1.21 1.0995 1 0 5 89.54 2.06 1.0946 1 7 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.