Chrysoberyl Weber S U, Grodzicki M, Lottermoser W, Redhammer G J, Tippelt G, Ponahlo J, Amthauer G Physics and Chemistry of Minerals 34 (2007) 507-515 57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and electronic structure calculations on natural alexandrite Locality: Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia Note: changed O1(z) from .788822 to .78822 _database_code_amcsd 0009096 CELL PARAMETERS: 9.4082 5.4790 4.4288 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 228.294 Density (g/cm3): 3.708 MAX. ABS. INTENSITY / VOLUME**2: 7.721302929 RIR: 0.678 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.86 3.86 4.7041 2 0 0 2 22.18 47.87 4.0070 1 0 1 4 24.95 1.64 3.5691 2 1 0 4 25.87 2.66 3.4443 0 1 1 4 27.58 96.34 3.2344 1 1 1 8 27.66 1.86 3.2246 2 0 1 4 32.21 1.92 2.7790 2 1 1 8 32.69 1.18 2.7395 0 2 0 2 35.06 56.84 2.5594 3 0 1 4 38.01 9.54 2.3673 2 2 0 4 38.27 3.14 2.3521 4 0 0 2 38.84 34.56 2.3189 3 1 1 8 39.86 50.27 2.2615 1 2 1 8 41.79 3.59 2.1613 4 1 0 4 41.91 2.01 2.1555 1 0 2 4 43.34 94.33 2.0878 2 2 1 8 43.57 48.85 2.0773 4 0 1 4 45.20 3.96 2.0059 1 1 2 8 48.37 1.62 1.8817 2 1 2 8 48.69 7.33 1.8702 3 2 1 8 52.87 1.17 1.7318 5 0 1 4 55.28 12.70 1.6619 1 3 1 8 55.66 7.90 1.6513 5 1 1 8 56.94 100.00 1.6172 2 2 2 8 57.13 42.00 1.6123 4 0 2 4 58.04 1.19 1.5891 2 3 1 8 59.79 7.93 1.5467 4 1 2 8 61.51 7.45 1.5075 6 1 0 4 62.47 8.36 1.4866 3 3 1 8 63.56 20.11 1.4638 5 2 1 8 63.82 1.82 1.4584 1 0 3 4 64.61 2.68 1.4425 4 3 0 4 66.32 4.37 1.4093 1 1 3 8 67.40 1.41 1.3895 4 2 2 8 67.52 1.25 1.3872 5 1 2 8 68.50 26.44 1.3698 0 4 0 2 69.01 41.16 1.3609 6 2 0 4 70.50 5.60 1.3357 3 0 3 4 72.89 9.79 1.2977 3 1 3 8 73.00 2.91 1.2961 1 4 1 8 73.57 11.00 1.2874 1 2 3 8 73.66 9.37 1.2861 7 0 1 4 75.68 2.78 1.2567 5 3 1 8 75.97 12.30 1.2527 2 2 3 8 76.13 5.36 1.2504 4 0 3 4 79.26 1.43 1.2087 4 3 2 8 79.34 9.07 1.2077 3 4 1 8 80.78 2.76 1.1897 6 3 0 4 81.28 1.64 1.1837 4 4 0 4 84.78 6.20 1.1435 4 4 1 8 85.13 1.96 1.1396 1 3 3 8 85.41 2.35 1.1366 8 0 1 4 85.45 1.20 1.1362 5 1 3 8 88.26 9.43 1.1072 0 0 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.