Beryl Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050120 Brown G E, Mills B A American Mineralogist 71 (1986) 547-556 High-temperature structure and crystal chemistry of hydrous alkali-rich beryl from the Harding pegmatite, Taos County, New Mexico Sample: T = 24 deg C, before heating O2x has been corrected CELL PARAMETERS: 9.2177 9.2177 9.2241 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) Be 0.50000 0.00000 0.25000 0.860 0.867 Li 0.50000 0.00000 0.25000 0.130 0.867 Al 0.50000 0.00000 0.25000 0.010 0.867 Al 0.66667 0.33333 0.25000 1.000 0.391 Si 0.38930 0.11890 0.00000 0.980 0.351 Al 0.38930 0.11890 0.00000 0.020 0.351 O 0.30570 0.23500 0.00000 1.000 1.020 O 0.49850 0.14680 0.14450 1.000 0.861 Wa 0.00000 0.00000 0.25000 0.550 1.643 Cs 0.00000 0.00000 0.25000 0.090 1.643 K 0.00000 0.00000 0.25000 0.050 1.643 Na 0.00000 0.00000 0.00000 0.210 1.174 Ca 0.00000 0.00000 0.00000 0.020 1.174 Mg 0.00000 0.00000 0.00000 0.020 1.174 Fe 0.00000 0.00000 0.00000 0.010 1.174 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 12.61730532 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.08 60.62 7.9828 1 0 0 19.24 28.16 4.6121 0 0 2 22.26 13.15 3.9935 1 0 2 22.27 1.77 3.9914 2 0 0 27.36 100.00 3.2601 1 1 2 29.60 27.38 3.0181 2 0 2 29.61 13.62 3.0172 2 1 0 31.19 85.39 2.8677 2 1 1 33.68 3.16 2.6609 3 0 0 35.56 12.15 2.5249 2 1 2 39.06 8.85 2.3060 0 0 4 39.09 1.14 2.3044 2 2 0 40.73 4.78 2.2154 1 0 4 40.75 5.33 2.2140 3 1 0 41.97 6.83 2.1529 3 1 1 43.92 1.63 2.0614 2 2 2 45.42 4.77 1.9967 2 0 4 45.45 1.19 1.9957 4 0 0 49.77 1.28 1.8322 2 1 4 49.79 1.41 1.8314 3 2 0 50.82 8.65 1.7967 3 1 3 52.51 14.05 1.7427 3 0 4 52.53 11.65 1.7420 4 1 0 53.54 9.01 1.7117 4 1 1 53.86 2.20 1.7021 3 2 2 56.45 15.28 1.6300 2 2 4 56.47 2.49 1.6296 4 1 2 57.75 2.64 1.5966 5 0 0 58.66 2.48 1.5739 2 1 5 58.68 5.14 1.5734 3 2 3 60.19 3.94 1.5374 0 0 6 61.15 13.94 1.5156 4 1 3 61.46 2.23 1.5086 4 2 0 63.82 5.38 1.4584 1 1 6 63.86 5.05 1.4575 3 3 2 65.03 3.20 1.4341 3 2 4 65.05 3.80 1.4338 4 2 2 67.37 1.69 1.3900 4 1 4 68.50 2.85 1.3698 2 1 6 68.54 2.06 1.3691 5 1 2 70.82 1.04 1.3305 6 0 0 74.14 1.91 1.2789 2 2 6 74.18 8.77 1.2783 6 0 2 74.18 4.14 1.2783 5 2 0 74.99 4.82 1.2666 4 1 5 75.01 6.66 1.2662 5 2 1 75.27 4.55 1.2624 4 2 4 78.57 1.19 1.2176 5 1 4 79.34 5.99 1.2076 2 1 7 79.39 6.69 1.2070 4 3 3 81.56 1.40 1.1803 5 2 3 83.92 3.29 1.1530 0 0 8 83.97 1.43 1.1524 6 0 4 85.05 1.29 1.1406 4 3 4 87.19 3.71 1.1180 5 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.