Bakerite Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R American Mineralogist 89 (2004) 767-776 The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the neutron data (RT) for sample #92735 _database_code_amcsd 0003543 CELL PARAMETERS: 4.7967 7.5711 9.5321 90.000 90.427 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 346.161 Density (g/cm3): 2.991 MAX. ABS. INTENSITY / VOLUME**2: 4.568197488 RIR: 0.497 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.94 5.74 5.9285 0 1 1 4 18.50 19.44 4.7966 1 0 0 2 18.62 6.77 4.7659 0 0 2 2 23.50 5.30 3.7856 0 2 0 2 23.81 25.41 3.7374 -1 1 1 4 23.92 55.64 3.7205 1 1 1 4 25.31 2.08 3.5182 0 2 1 4 26.26 5.99 3.3935 -1 0 2 2 26.46 51.55 3.3683 1 0 2 2 28.83 100.00 3.0966 -1 1 2 4 29.01 60.92 3.0775 1 1 2 4 30.07 50.11 2.9716 1 2 0 4 30.15 14.51 2.9642 0 2 2 4 31.49 91.05 2.8406 -1 2 1 4 31.58 60.27 2.8332 1 2 1 4 35.53 1.61 2.5268 -1 2 2 4 35.68 2.65 2.5164 1 2 2 4 35.80 26.86 2.5079 -1 1 3 4 36.03 56.91 2.4926 1 1 3 4 36.94 1.09 2.4337 0 2 3 4 37.75 13.19 2.3830 0 0 4 2 39.41 1.75 2.2863 2 1 0 4 39.65 15.63 2.2730 0 1 4 4 40.38 35.51 2.2334 1 3 0 4 40.44 36.55 2.2303 0 3 2 4 40.51 22.23 2.2268 -2 1 1 4 41.51 36.03 2.1753 -1 2 3 4 41.56 10.28 2.1729 1 3 1 4 41.71 38.86 2.1653 1 2 3 4 42.05 10.42 2.1488 -2 0 2 2 42.22 8.89 2.1405 -1 0 4 2 42.48 12.52 2.1278 1 0 4 2 43.96 16.26 2.0597 -1 1 4 4 44.73 3.05 2.0259 2 2 0 4 44.75 7.31 2.0251 -1 3 2 4 44.95 1.24 2.0167 0 2 4 4 45.73 20.24 1.9842 -2 2 1 4 45.85 30.55 1.9791 2 2 1 4 45.92 10.61 1.9762 0 3 3 4 48.07 13.17 1.8928 0 4 0 2 48.73 1.31 1.8687 -2 2 2 4 48.88 4.41 1.8632 -1 2 4 4 48.91 23.10 1.8621 -2 1 3 4 48.97 2.13 1.8603 2 2 2 4 49.07 6.59 1.8565 0 4 1 4 49.27 25.85 1.8496 2 1 3 4 49.29 5.01 1.8487 0 1 5 4 50.00 2.25 1.8242 1 3 3 4 51.93 18.16 1.7607 1 4 0 4 51.98 10.46 1.7591 0 4 2 4 52.65 1.23 1.7385 2 3 0 4 52.84 12.54 1.7326 0 3 4 4 52.91 2.51 1.7305 1 4 1 4 52.95 3.77 1.7292 -1 1 5 4 53.49 1.66 1.7131 -2 2 3 4 53.53 4.90 1.7119 -2 3 1 4 53.82 1.54 1.7034 2 2 3 4 53.84 18.38 1.7027 0 2 5 4 54.05 10.46 1.6967 -2 0 4 2 55.50 3.44 1.6557 -2 1 4 4 55.93 22.74 1.6440 2 1 4 4 56.22 18.18 1.6361 -2 3 2 4 56.36 12.05 1.6324 -1 3 4 4 56.44 20.54 1.6304 2 3 2 4 56.58 8.66 1.6268 1 3 4 4 57.30 5.90 1.6079 -1 2 5 4 57.56 2.68 1.6012 1 2 5 4 57.65 10.74 1.5989 3 0 0 2 58.06 6.43 1.5886 0 0 6 2 59.72 6.48 1.5483 -2 2 4 4 60.00 1.20 1.5419 3 1 1 4 60.57 1.17 1.5286 -2 3 3 4 60.90 1.13 1.5212 0 3 5 4 61.29 5.77 1.5124 3 0 2 2 61.34 6.50 1.5114 -1 0 6 2 61.64 4.63 1.5047 1 0 6 2 62.06 1.75 1.4955 0 5 1 4 62.34 5.15 1.4896 -3 1 2 4 62.64 3.72 1.4831 3 1 2 4 63.12 1.20 1.4729 3 2 0 4 63.30 1.67 1.4691 -2 4 1 4 63.51 6.37 1.4649 0 2 6 4 63.79 1.53 1.4591 2 1 5 4 63.89 3.41 1.4571 -3 2 1 4 64.03 3.70 1.4541 3 2 1 4 64.36 1.44 1.4475 1 3 5 4 64.54 1.72 1.4440 1 5 0 4 64.58 2.00 1.4431 0 5 2 4 65.34 4.38 1.4282 -1 5 1 4 65.75 1.89 1.4203 -2 4 2 4 65.87 1.03 1.4179 -1 4 4 4 65.94 3.34 1.4166 2 4 2 4 66.07 3.57 1.4142 1 4 4 4 66.42 3.77 1.4075 -3 1 3 4 66.63 1.10 1.4037 -1 2 6 4 66.86 1.13 1.3994 3 1 3 4 67.70 1.06 1.3840 2 2 5 4 69.61 6.08 1.3506 3 3 0 4 70.68 2.47 1.3328 3 2 3 4 71.74 6.58 1.3157 -1 5 3 4 71.88 9.93 1.3135 1 5 3 4 72.96 2.19 1.2967 -1 3 6 4 73.19 3.08 1.2932 -1 1 7 4 73.29 2.07 1.2917 1 4 5 4 75.32 4.90 1.2618 0 6 0 2 75.68 3.96 1.2567 -3 2 4 4 75.87 1.63 1.2540 -2 2 6 4 76.09 1.87 1.2509 0 6 1 4 76.46 2.36 1.2458 -3 3 3 4 76.87 1.71 1.2402 3 3 3 4 76.88 2.27 1.2401 -1 2 7 4 77.05 1.18 1.2378 -2 5 2 4 77.16 1.39 1.2362 -1 5 4 4 77.20 5.18 1.2358 1 2 7 4 77.23 2.15 1.2353 2 5 2 4 77.35 1.98 1.2337 1 5 4 4 78.27 8.25 1.2214 3 4 0 4 78.62 10.34 1.2168 0 4 6 4 78.87 1.08 1.2137 -3 1 5 4 78.97 1.80 1.2124 -3 4 1 4 79.11 1.84 1.2106 3 4 1 4 79.14 1.87 1.2102 1 6 1 4 79.55 1.04 1.2050 3 1 5 4 80.02 4.16 1.1991 4 0 0 2 80.64 1.17 1.1915 0 0 8 2 80.82 7.37 1.1892 -2 5 3 4 81.09 7.79 1.1859 2 5 3 4 81.11 1.09 1.1857 0 5 5 4 81.45 2.09 1.1817 1 6 2 4 81.74 1.87 1.1782 -3 3 4 4 81.84 5.90 1.1770 0 1 8 4 82.13 1.90 1.1736 -2 1 7 4 82.27 7.02 1.1719 3 3 4 4 82.48 4.80 1.1694 -3 2 5 4 83.15 4.24 1.1617 3 2 5 4 83.80 1.51 1.1543 1 0 8 2 83.98 2.34 1.1523 -1 5 5 4 85.65 1.71 1.1341 4 2 1 4 85.71 4.06 1.1334 -2 2 7 4 85.93 2.25 1.1312 -3 0 6 2 86.33 4.78 1.1269 2 2 7 4 86.73 4.42 1.1228 3 0 6 2 87.32 1.23 1.1167 2 6 0 4 87.47 3.11 1.1152 0 6 4 4 88.02 2.18 1.1096 -2 6 1 4 89.86 2.10 1.0915 3 5 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.