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 synchrotron data for sample #92735 _database_code_amcsd 0003542 CELL PARAMETERS: 4.8005 7.5788 9.5432 90.000 90.437 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 347.191 Density (g/cm3): 2.882 MAX. ABS. INTENSITY / VOLUME**2: 4.100934398 RIR: 0.463 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.93 3.25 5.9349 0 1 1 4 18.48 16.52 4.8004 1 0 0 2 18.60 16.17 4.7715 0 0 2 2 23.48 10.23 3.7894 0 2 0 2 23.78 26.97 3.7410 -1 1 1 4 23.90 67.47 3.7237 1 1 1 4 25.29 2.47 3.5219 0 2 1 4 26.23 7.59 3.3971 -1 0 2 2 26.44 50.30 3.3713 1 0 2 2 28.80 100.00 3.0999 -1 1 2 4 28.99 72.29 3.0803 1 1 2 4 30.04 56.65 2.9743 1 2 0 4 30.12 17.91 2.9674 0 2 2 4 31.46 85.28 2.8434 -1 2 1 4 31.55 72.07 2.8358 1 2 1 4 35.49 1.92 2.5295 -1 2 2 4 35.65 2.39 2.5188 1 2 2 4 35.76 32.67 2.5107 -1 1 3 4 36.00 51.51 2.4951 1 1 3 4 37.71 15.80 2.3857 0 0 4 2 39.38 1.84 2.2882 2 1 0 4 39.60 14.07 2.2756 0 1 4 4 40.34 33.15 2.2356 1 3 0 4 40.40 45.35 2.2326 0 3 2 4 40.47 27.51 2.2288 -2 1 1 4 41.47 43.50 2.1777 -1 2 3 4 41.52 9.42 2.1749 1 3 1 4 41.67 36.57 2.1675 1 2 3 4 42.01 7.03 2.1508 -2 0 2 2 42.17 7.87 2.1430 -1 0 4 2 42.44 13.25 2.1300 1 0 4 2 43.91 16.38 2.0621 -1 1 4 4 44.17 1.10 2.0505 1 1 4 4 44.69 1.74 2.0277 2 2 0 4 44.70 4.70 2.0272 -1 3 2 4 44.90 1.55 2.0189 0 2 4 4 45.68 19.03 1.9860 -2 2 1 4 45.81 31.15 1.9808 2 2 1 4 45.87 10.41 1.9783 0 3 3 4 48.02 13.08 1.8947 0 4 0 2 48.68 1.56 1.8705 -2 2 2 4 48.82 5.55 1.8653 -1 2 4 4 48.86 22.32 1.8640 -2 1 3 4 48.92 2.57 1.8618 2 2 2 4 49.02 9.12 1.8584 0 4 1 4 49.22 24.91 1.8512 2 1 3 4 49.23 3.72 1.8508 0 1 5 4 49.95 1.99 1.8260 1 3 3 4 51.88 18.63 1.7624 1 4 0 4 51.93 9.86 1.7609 0 4 2 4 52.60 1.23 1.7401 2 3 0 4 52.78 11.31 1.7345 0 3 4 4 52.85 3.02 1.7322 1 4 1 4 52.89 2.40 1.7312 -1 1 5 4 53.17 1.75 1.7226 1 1 5 4 53.43 1.65 1.7148 -2 2 3 4 53.48 6.88 1.7135 -2 3 1 4 53.78 18.01 1.7046 0 2 5 4 53.98 10.64 1.6985 -2 0 4 2 55.44 4.96 1.6574 -2 1 4 4 55.88 25.78 1.6454 2 1 4 4 56.17 19.28 1.6377 -2 3 2 4 56.29 13.39 1.6342 -1 3 4 4 56.38 18.76 1.6318 2 3 2 4 56.51 8.63 1.6284 1 3 4 4 57.23 6.15 1.6098 -1 2 5 4 57.50 2.40 1.6029 1 2 5 4 57.60 9.09 1.6001 3 0 0 2 57.99 6.23 1.5905 0 0 6 2 59.65 6.64 1.5500 -2 2 4 4 61.24 6.08 1.5136 3 0 2 2 61.26 6.89 1.5132 -1 0 6 2 61.56 5.24 1.5063 1 0 6 2 62.27 5.60 1.4909 -3 1 2 4 62.58 3.67 1.4843 3 1 2 4 63.06 1.18 1.4741 3 2 0 4 63.24 1.70 1.4705 -2 4 1 4 63.43 7.37 1.4665 0 2 6 4 63.72 1.09 1.4604 2 1 5 4 63.82 4.04 1.4584 -3 2 1 4 63.98 3.59 1.4553 3 2 1 4 64.29 1.92 1.4490 1 3 5 4 64.46 1.49 1.4454 1 5 0 4 64.50 1.79 1.4446 0 5 2 4 65.27 6.15 1.4296 -1 5 1 4 65.67 1.84 1.4217 -2 4 2 4 65.79 1.32 1.4194 -1 4 4 4 65.87 2.84 1.4179 2 4 2 4 65.99 3.47 1.4157 1 4 4 4 66.35 3.98 1.4089 -3 1 3 4 66.54 1.05 1.4053 -1 2 6 4 66.79 1.73 1.4006 3 1 3 4 67.63 1.30 1.3853 2 2 5 4 69.54 6.13 1.3518 3 3 0 4 69.67 1.28 1.3497 -2 4 3 4 70.61 2.87 1.3339 3 2 3 4 71.65 6.74 1.3171 -1 5 3 4 71.80 8.78 1.3148 1 5 3 4 71.88 1.26 1.3134 -3 1 4 4 72.86 1.63 1.2982 -1 3 6 4 73.09 2.82 1.2947 -1 1 7 4 73.20 2.75 1.2930 1 4 5 4 74.11 1.03 1.2794 0 5 4 4 75.23 4.26 1.2631 0 6 0 2 75.59 3.51 1.2580 -3 2 4 4 75.77 1.71 1.2554 -2 2 6 4 76.00 2.25 1.2522 0 6 1 4 76.37 2.05 1.2470 -3 3 3 4 76.77 1.71 1.2415 -1 2 7 4 76.79 1.56 1.2412 3 3 3 4 76.96 1.22 1.2390 -2 5 2 4 77.07 1.58 1.2375 -1 5 4 4 77.10 4.41 1.2371 1 2 7 4 77.14 1.59 1.2365 2 5 2 4 77.25 1.57 1.2350 1 5 4 4 78.19 7.47 1.2225 3 4 0 4 78.52 10.35 1.2182 0 4 6 4 78.77 1.10 1.2149 -3 1 5 4 78.88 1.84 1.2135 -3 4 1 4 79.02 1.82 1.2117 3 4 1 4 79.05 1.37 1.2114 1 6 1 4 79.94 4.82 1.2001 4 0 0 2 80.52 1.09 1.1929 0 0 8 2 80.72 6.93 1.1904 -2 5 3 4 81.00 8.02 1.1871 2 5 3 4 81.14 1.22 1.1853 4 1 0 4 81.35 1.55 1.1828 1 6 2 4 81.64 1.68 1.1794 -3 3 4 4 81.72 6.43 1.1784 0 1 8 4 81.94 1.02 1.1758 -2 4 5 4 82.01 2.11 1.1749 -2 1 7 4 82.19 6.55 1.1729 3 3 4 4 82.38 4.54 1.1706 -3 2 5 4 83.07 4.16 1.1627 3 2 5 4 83.87 1.46 1.1535 -1 5 5 4 85.57 1.12 1.1350 4 2 1 4 85.59 3.51 1.1347 -2 2 7 4 85.81 2.17 1.1324 -3 0 6 2 86.23 4.18 1.1280 2 2 7 4 86.63 3.67 1.1238 3 0 6 2 87.21 1.62 1.1178 2 6 0 4 87.35 3.16 1.1163 0 6 4 4 87.91 1.94 1.1107 -2 6 1 4 89.76 2.52 1.0925 3 5 1 4 89.97 4.09 1.0906 -3 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.