Datolite 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: #45837, single crystal data _database_code_amcsd 0003540 CELL PARAMETERS: 4.8500 7.6270 9.6590 90.000 90.255 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 357.292 Density (g/cm3): 2.974 MAX. ABS. INTENSITY / VOLUME**2: 5.189124359 RIR: 0.568 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.80 10.42 5.9858 0 1 1 4 18.29 22.09 4.8500 1 0 0 2 18.37 2.59 4.8295 0 0 2 2 23.33 6.86 3.8135 0 2 0 2 23.58 27.10 3.7734 -1 1 1 4 23.64 48.80 3.7632 1 1 1 4 25.98 2.77 3.4298 -1 0 2 2 26.10 47.65 3.4146 1 0 2 2 28.54 100.00 3.1281 -1 1 2 4 28.64 58.36 3.1165 1 1 2 4 29.80 55.88 2.9978 1 2 0 4 29.85 19.87 2.9929 0 2 2 4 31.22 80.23 2.8653 -1 2 1 4 31.27 49.25 2.8608 1 2 1 4 35.19 1.82 2.5501 -1 2 2 4 35.28 6.22 2.5439 1 2 2 4 35.41 20.35 2.5351 -1 1 3 4 35.54 45.48 2.5258 1 1 3 4 36.55 2.10 2.4586 0 3 1 4 37.24 14.19 2.4147 0 0 4 2 39.13 16.73 2.3021 0 1 4 4 40.04 27.08 2.2517 1 3 0 4 40.08 21.93 2.2497 -2 1 1 4 40.08 36.56 2.2497 0 3 2 4 41.08 38.76 2.1970 -1 2 3 4 41.18 6.12 2.1919 1 3 1 4 41.20 27.38 2.1910 1 2 3 4 41.60 6.47 2.1710 -2 0 2 2 41.71 8.22 2.1655 -1 0 4 2 41.87 13.21 2.1578 1 0 4 2 43.44 8.30 2.0831 -1 1 4 4 43.59 1.46 2.0763 1 1 4 4 44.26 4.24 2.0463 2 2 0 4 44.35 3.80 2.0424 -1 3 2 4 44.40 1.16 2.0401 0 2 4 4 45.26 15.85 2.0034 -2 2 1 4 45.34 21.63 2.0003 2 2 1 4 45.46 8.61 1.9953 0 3 3 4 47.70 8.68 1.9067 0 4 0 2 48.33 4.75 1.8831 -1 2 4 4 48.37 3.65 1.8816 2 2 2 4 48.38 19.46 1.8812 -2 1 3 4 48.59 23.04 1.8737 2 1 3 4 48.62 2.20 1.8726 0 1 5 4 48.68 6.27 1.8706 0 4 1 4 49.44 1.60 1.8434 1 3 3 4 51.50 17.33 1.7745 1 4 0 4 51.53 8.79 1.7735 0 4 2 4 52.25 7.20 1.7508 0 3 4 4 52.29 2.59 1.7495 -1 1 5 4 52.44 1.97 1.7448 1 4 1 4 53.01 5.15 1.7275 -2 3 1 4 53.15 18.43 1.7233 0 2 5 4 53.43 10.58 1.7149 -2 0 4 2 54.87 3.21 1.6731 -2 1 4 4 55.13 22.90 1.6661 2 1 4 4 55.67 20.26 1.6510 -2 3 2 4 55.76 11.49 1.6485 -1 3 4 4 55.80 16.34 1.6475 2 3 2 4 55.89 9.55 1.6451 1 3 4 4 56.61 5.90 1.6259 -1 2 5 4 56.76 1.83 1.6218 1 2 5 4 56.96 6.45 1.6167 3 0 0 2 57.23 3.70 1.6098 0 0 6 2 59.06 6.70 1.5640 -2 2 4 4 59.52 1.81 1.5530 1 4 3 4 60.47 6.97 1.5310 3 0 2 2 60.52 6.78 1.5299 -1 0 6 2 60.70 4.87 1.5258 1 0 6 2 61.63 6.46 1.5049 -3 1 2 4 61.81 2.98 1.5010 3 1 2 4 62.39 1.31 1.4884 3 2 0 4 62.64 8.10 1.4831 0 2 6 4 62.70 2.58 1.4818 -2 4 1 4 63.17 2.77 1.4720 -3 2 1 4 63.25 2.98 1.4702 3 2 1 4 63.52 1.13 1.4647 1 3 5 4 63.98 1.87 1.4551 1 5 0 4 64.01 1.36 1.4546 0 5 2 4 64.78 5.29 1.4392 -1 5 1 4 64.81 1.31 1.4386 1 5 1 4 65.11 1.03 1.4326 -2 4 2 4 65.19 1.35 1.4311 -1 4 4 4 65.22 3.75 1.4304 2 4 2 4 65.31 3.04 1.4288 1 4 4 4 65.66 3.12 1.4220 -3 1 3 4 65.77 1.79 1.4199 -1 2 6 4 65.92 1.33 1.4171 3 1 3 4 65.94 1.14 1.4166 1 2 6 4 66.71 1.38 1.4021 2 2 5 4 67.22 1.08 1.3927 1 5 2 4 68.82 7.18 1.3642 3 3 0 4 69.05 1.39 1.3603 -2 4 3 4 69.71 3.29 1.3489 3 2 3 4 71.06 4.87 1.3267 -1 5 3 4 71.14 7.07 1.3253 1 5 3 4 71.45 1.18 1.3204 3 1 4 4 72.16 3.46 1.3090 -1 1 7 4 72.37 2.66 1.3058 1 4 5 4 73.42 1.35 1.2896 0 5 4 4 74.67 4.55 1.2712 0 6 0 2 74.79 4.49 1.2694 -3 2 4 4 74.92 2.02 1.2675 -2 2 6 4 75.42 1.91 1.2603 0 6 1 4 75.60 1.32 1.2578 -3 3 3 4 75.84 1.68 1.2544 3 3 3 4 76.00 3.02 1.2521 1 2 7 4 76.29 1.23 1.2481 -2 5 2 4 76.37 1.37 1.2471 -1 5 4 4 76.40 1.72 1.2466 2 5 2 4 76.47 2.04 1.2456 1 5 4 4 77.39 6.22 1.2331 3 4 0 4 77.62 9.12 1.2301 0 4 6 4 78.10 1.05 1.2237 -3 4 1 4 78.18 1.58 1.2226 3 4 1 4 78.96 3.60 1.2125 4 0 0 2 79.36 1.21 1.2074 0 0 8 2 80.00 4.86 1.1994 -2 5 3 4 80.15 1.68 1.1975 4 1 0 4 80.15 7.01 1.1974 2 5 3 4 80.55 5.45 1.1925 0 1 8 4 80.65 1.83 1.1913 1 6 2 4 80.78 1.10 1.1897 -3 3 4 4 81.01 1.98 1.1869 -2 1 7 4 81.10 5.76 1.1859 3 3 4 4 81.47 3.48 1.1814 -3 2 5 4 81.86 2.76 1.1767 3 2 5 4 83.04 1.01 1.1630 -1 5 5 4 84.49 1.68 1.1467 4 2 1 4 84.55 2.85 1.1460 -2 2 7 4 84.80 1.84 1.1433 -3 0 6 2 84.91 3.41 1.1421 2 2 7 4 85.27 3.62 1.1382 3 0 6 2 86.43 1.08 1.1259 2 6 0 4 86.44 1.29 1.1257 3 1 6 4 86.53 2.63 1.1248 0 6 4 4 87.14 2.16 1.1186 -2 6 1 4 88.80 2.02 1.1018 3 5 1 4 89.02 4.50 1.0997 -3 4 4 4 89.14 3.85 1.0985 -2 4 6 4 89.45 1.49 1.0955 2 4 6 4 89.57 1.35 1.0944 4 3 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.