Datolite Ivanov Y V, Belokoneva E L Acta Crystallographica B63 (2007) 49-55 Multipole refinement and electron density analysis in natural borosilicate datolite using X-ray diffraction data Locality: datolite-hedenbergite scarn deposit, Tetyche, Sikhote-Alin mountains _database_code_amcsd 0009947 CELL PARAMETERS: 9.6460 7.6200 4.8390 90.000 90.140 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 355.678 Density (g/cm3): 2.987 MAX. ABS. INTENSITY / VOLUME**2: 5.392039543 RIR: 0.588 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.82 10.35 5.9794 1 1 0 4 18.33 19.59 4.8390 0 0 1 2 18.40 2.02 4.8230 2 0 0 2 23.35 6.36 3.8100 0 2 0 2 23.64 24.94 3.7643 -1 1 1 4 23.67 48.14 3.7587 1 1 1 4 26.05 2.24 3.4202 -2 0 1 2 26.12 45.98 3.4118 2 0 1 2 28.61 100.00 3.1203 -2 1 1 4 28.67 56.99 3.1140 2 1 1 4 29.85 57.36 2.9935 0 2 1 4 29.89 19.68 2.9897 2 2 0 4 31.27 79.04 2.8602 -1 2 1 4 31.30 48.95 2.8578 1 2 1 4 35.26 1.93 2.5451 -2 2 1 4 35.31 6.52 2.5417 2 2 1 4 35.49 19.91 2.5291 -3 1 1 4 35.57 45.69 2.5240 3 1 1 4 36.58 2.11 2.4563 1 3 0 4 37.29 14.55 2.4115 4 0 0 2 39.18 16.55 2.2991 4 1 0 4 40.09 26.43 2.2490 0 3 1 4 40.12 37.11 2.2474 2 3 0 4 40.19 22.30 2.2440 -1 1 2 4 41.17 38.71 2.1926 -3 2 1 4 41.23 6.15 2.1897 1 3 1 4 41.24 27.39 2.1893 3 2 1 4 41.72 6.61 2.1647 -2 0 2 2 41.81 8.06 2.1604 -4 0 1 2 41.90 13.59 2.1562 4 0 1 2 43.54 8.03 2.0785 -4 1 1 4 43.62 1.52 2.0748 4 1 1 4 44.35 4.14 2.0425 0 2 2 4 44.43 4.23 2.0392 -2 3 1 4 44.46 1.10 2.0376 4 2 0 4 45.37 15.83 1.9990 -1 2 2 4 45.41 21.61 1.9973 1 2 2 4 45.51 8.49 1.9931 3 3 0 4 47.74 9.06 1.9050 0 4 0 2 48.43 3.86 1.8794 2 2 2 4 48.44 5.04 1.8793 -4 2 1 4 48.53 19.05 1.8760 -3 1 2 4 48.64 23.88 1.8718 3 1 2 4 48.69 2.25 1.8702 5 1 0 4 48.72 6.63 1.8689 1 4 0 4 49.48 1.59 1.8419 3 3 1 4 51.56 17.78 1.7726 0 4 1 4 51.58 9.01 1.7718 2 4 0 4 52.31 7.12 1.7488 4 3 0 4 52.41 2.66 1.7458 -5 1 1 4 52.50 2.07 1.7431 1 4 1 4 53.12 5.42 1.7242 -1 3 2 4 53.22 19.44 1.7211 5 2 0 4 53.59 11.18 1.7101 -4 0 2 2 55.03 3.38 1.6686 -4 1 2 4 55.17 24.05 1.6647 4 1 2 4 55.80 21.78 1.6476 -2 3 2 4 55.87 17.16 1.6457 2 3 2 4 55.87 12.29 1.6457 -4 3 1 4 55.94 9.92 1.6438 4 3 1 4 56.73 6.20 1.6227 -5 2 1 4 56.81 2.01 1.6205 5 2 1 4 57.10 6.36 1.6130 0 0 3 2 57.31 3.71 1.6077 6 0 0 2 59.23 6.78 1.5601 -4 2 2 4 59.58 2.05 1.5517 3 4 1 4 60.57 7.48 1.5286 2 0 3 2 60.65 7.29 1.5268 -6 0 1 2 60.75 5.19 1.5246 6 0 1 2 61.82 6.92 1.5009 -2 1 3 4 61.91 3.19 1.4987 2 1 3 4 62.53 1.40 1.4854 0 2 3 4 62.73 8.87 1.4812 6 2 0 4 62.81 2.88 1.4794 -1 4 2 4 63.33 2.96 1.4686 -1 2 3 4 63.38 3.23 1.4676 1 2 3 4 63.58 1.16 1.4635 5 3 1 4 64.06 2.05 1.4536 0 5 1 4 64.08 1.39 1.4532 2 5 0 4 64.86 5.77 1.4375 -1 5 1 4 64.88 1.55 1.4372 1 5 1 4 65.24 1.06 1.4301 -2 4 2 4 65.30 4.17 1.4289 2 4 2 4 65.30 1.47 1.4289 -4 4 1 4 65.37 3.35 1.4276 4 4 1 4 65.87 3.39 1.4180 -3 1 3 4 65.91 1.96 1.4172 -6 2 1 4 66.00 1.27 1.4154 6 2 1 4 66.01 1.60 1.4153 3 1 3 4 66.77 1.63 1.4010 5 2 2 4 67.29 1.23 1.3915 2 5 1 4 68.97 7.62 1.3616 0 3 3 4 69.19 1.58 1.3577 -3 4 2 4 69.81 3.65 1.3473 3 2 3 4 71.16 5.12 1.3249 -3 5 1 4 71.21 7.82 1.3242 3 5 1 4 71.35 1.12 1.3219 -4 1 3 4 71.53 1.41 1.3190 4 1 3 4 72.28 1.16 1.3072 6 3 1 4 72.32 3.86 1.3065 -7 1 1 4 72.44 3.15 1.3047 5 4 1 4 73.51 1.63 1.2883 4 5 0 4 74.75 5.05 1.2700 0 6 0 2 75.03 5.03 1.2660 -4 2 3 4 75.13 2.28 1.2645 -6 2 2 4 75.51 2.06 1.2591 1 6 0 4 75.82 1.44 1.2548 -3 3 3 4 75.95 1.84 1.2529 3 3 3 4 75.98 1.02 1.2525 -7 2 1 4 76.08 3.37 1.2510 7 2 1 4 76.43 1.33 1.2462 -2 5 2 4 76.49 1.88 1.2453 2 5 2 4 76.49 1.55 1.2453 -4 5 1 4 76.55 2.25 1.2445 4 5 1 4 77.55 6.90 1.2310 0 4 3 4 77.73 10.14 1.2286 6 4 0 4 78.28 1.12 1.2214 -1 4 3 4 78.32 1.87 1.2208 1 4 3 4 79.18 3.96 1.2097 0 0 4 2 79.49 1.37 1.2057 8 0 0 2 80.16 5.33 1.1974 -3 5 2 4 80.24 7.81 1.1963 3 5 2 4 80.28 1.02 1.1959 5 5 0 4 80.37 1.98 1.1948 0 1 4 4 80.68 6.17 1.1909 8 1 0 4 80.74 2.04 1.1902 2 6 1 4 81.03 1.21 1.1867 -4 3 3 4 81.14 1.04 1.1854 1 1 4 4 81.20 6.44 1.1846 4 3 3 4 81.24 2.33 1.1841 -7 1 2 4 81.73 3.85 1.1782 -5 2 3 4 81.95 3.04 1.1757 5 2 3 4 82.06 1.12 1.1744 7 3 1 4 83.18 1.04 1.1614 -5 5 1 4 84.68 2.00 1.1446 1 2 4 4 84.79 3.20 1.1434 -7 2 2 4 84.99 3.76 1.1412 7 2 2 4 85.10 2.08 1.1401 -6 0 3 2 85.35 4.12 1.1373 6 0 3 2 86.27 1.04 1.1275 -6 1 3 4 86.53 1.50 1.1248 6 1 3 4 86.56 1.33 1.1245 0 6 2 4 86.64 3.06 1.1237 4 6 0 4 86.91 1.13 1.1208 2 2 4 4 87.28 2.58 1.1171 -1 6 2 4 88.96 2.36 1.1003 1 5 3 4 89.27 5.21 1.0972 -4 4 3 4 89.37 4.57 1.0963 -6 4 2 4 89.54 1.76 1.0946 6 4 2 4 89.80 1.47 1.0922 0 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.