Barylite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of 060620 Robinson P D, Fang J H American Mineralogist 62 (1977) 167-169 Barylite, BaBe2Si2O7: its space group and crystal structure Locality: amazonite pocket, Park County, Colorado, USA CELL PARAMETERS: 9.7910 11.6430 4.6687 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Ba 0.15160 0.75000 0.24700 1.000 0.790 Be 0.16100 0.50200 0.70300 1.000 0.600 Si 0.08850 0.37790 0.19950 1.000 0.500 O 0.42910 0.38460 0.21750 1.000 0.630 O 0.18740 0.47120 0.35580 1.000 0.510 O 0.10720 0.38680 0.85920 1.000 0.740 O 0.14540 0.25000 0.29580 1.000 0.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 10 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 26.81615877 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.22 53.96 5.8215 0 2 0 18.12 2.29 4.8955 2 0 0 19.67 27.45 4.5128 2 1 0 20.50 28.00 4.3333 0 1 1 21.08 1.51 4.2141 1 0 1 23.75 2.52 3.7468 2 2 0 26.38 81.79 3.3786 2 0 1 27.49 27.51 3.2448 2 1 1 29.37 79.48 3.0412 2 3 0 29.94 85.85 2.9845 0 3 1 30.59 100.00 2.9221 2 2 1 30.72 5.06 2.9107 0 4 0 31.33 1.41 2.8548 1 3 1 34.40 3.02 2.6070 3 1 1 35.22 1.23 2.5483 2 3 1 35.89 25.42 2.5019 2 4 0 36.72 30.35 2.4478 4 0 0 37.55 11.13 2.3954 4 1 0 37.55 3.39 2.3950 1 4 1 38.57 40.85 2.3344 0 0 2 39.96 13.06 2.2564 4 2 0 40.92 44.64 2.2052 2 4 1 40.98 3.65 2.2024 3 3 1 41.66 11.42 2.1679 4 0 1 41.69 15.89 2.1667 0 2 2 42.41 12.00 2.1312 4 1 1 43.01 15.39 2.1028 2 5 0 43.43 17.36 2.0838 0 5 1 43.66 15.99 2.0734 2 1 2 43.72 4.49 2.0704 4 3 0 44.45 1.75 2.0381 1 5 1 44.60 8.82 2.0316 4 2 1 45.80 2.61 1.9813 2 2 2 46.09 1.35 1.9695 3 4 1 46.82 8.51 1.9405 0 6 0 48.07 14.54 1.8926 4 3 1 48.60 2.17 1.8734 4 4 0 49.20 22.34 1.8518 2 3 2 50.09 3.95 1.8211 0 4 2 50.54 1.37 1.8058 5 0 1 52.64 11.07 1.7386 4 4 1 53.70 8.08 1.7068 2 4 2 54.30 11.59 1.6893 4 0 2 54.53 15.09 1.6827 2 6 1 54.92 6.39 1.6718 4 1 2 56.74 8.81 1.6224 4 2 2 58.14 8.50 1.5867 4 5 1 58.62 2.41 1.5749 2 7 0 58.76 3.42 1.5713 6 2 0 58.95 2.96 1.5668 0 7 1 59.13 11.69 1.5624 2 5 2 59.70 3.26 1.5489 4 3 2 59.97 2.03 1.5425 0 1 3 60.06 1.57 1.5404 6 0 1 60.64 13.20 1.5271 6 1 1 60.93 4.84 1.5206 4 6 0 61.66 2.28 1.5043 6 3 0 62.21 4.24 1.4923 2 7 1 62.21 6.26 1.4922 0 6 2 62.35 5.49 1.4892 6 2 1 62.64 5.89 1.4831 2 0 3 63.20 2.24 1.4712 2 1 3 63.69 3.60 1.4611 4 4 2 63.97 9.21 1.4554 0 8 0 64.44 4.70 1.4459 4 6 1 64.51 7.55 1.4444 0 3 3 64.88 10.83 1.4372 2 2 3 65.15 1.90 1.4318 6 3 1 65.59 14.24 1.4234 6 4 0 67.12 1.19 1.3946 3 1 3 68.16 3.28 1.3757 4 7 0 68.64 1.41 1.3674 4 5 2 68.97 1.47 1.3615 6 4 1 69.11 1.36 1.3591 1 4 3 70.45 8.14 1.3366 2 8 1 70.46 1.80 1.3364 6 5 0 71.38 3.30 1.3215 2 4 3 71.42 2.02 1.3209 3 3 3 71.49 2.28 1.3196 4 7 1 72.38 3.28 1.3055 2 7 2 72.42 1.86 1.3050 4 1 3 72.52 4.22 1.3035 6 2 2 73.14 4.79 1.2939 0 5 3 73.99 3.36 1.2811 4 2 3 74.47 4.15 1.2741 4 6 2 75.13 2.00 1.2645 6 3 2 76.09 4.90 1.2510 4 8 0 76.59 4.58 1.2440 4 3 3 77.25 7.24 1.2350 0 8 2 78.60 3.67 1.2172 8 1 0 78.74 10.91 1.2153 6 4 2 79.29 1.07 1.2083 4 8 1 79.43 2.02 1.2065 6 6 1 80.18 1.90 1.1971 4 4 3 81.15 2.21 1.1852 4 7 2 81.26 1.15 1.1839 8 0 1 81.72 5.18 1.1783 2 6 3 82.68 1.05 1.1672 0 0 4 83.29 5.16 1.1601 8 2 1 83.32 1.46 1.1598 6 5 2 84.70 2.58 1.1444 0 2 4 84.74 2.99 1.1439 4 5 3 86.02 6.15 1.1302 6 7 1 86.04 3.80 1.1300 2 1 4 86.40 1.17 1.1262 6 0 3 86.90 4.46 1.1210 6 1 3 87.89 1.12 1.1109 4 9 1 88.72 4.76 1.1026 4 8 2 88.74 1.66 1.1025 2 9 2 88.86 1.74 1.1012 6 6 2 88.91 5.16 1.1008 2 10 1 89.33 5.00 1.0966 8 4 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.