Scolecite Kuntzinger S, Ghermani N E, Dusausoy Y, Lecomte C Acta Crystallographica B54 (1998) 819-833 Distribution and topology of the electron density in an aluminosilicate compound from high-resolution X-ray diffraction data: the case of scolecite Note: zeolite _database_code_amcsd 0009906 CELL PARAMETERS: 18.4890 18.9590 6.5190 90.000 90.611 90.000 SPACE GROUP: Fd X-RAY WAVELENGTH: 1.541838 Cell Volume: 2284.994 Density (g/cm3): 2.281 MAX. ABS. INTENSITY / VOLUME**2: 5.772612724 RIR: 0.824 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.38 54.31 6.6182 2 2 0 2 15.10 100.00 5.8657 -1 1 1 2 15.20 12.42 5.8303 1 1 1 2 18.72 37.31 4.7397 0 4 0 2 19.20 26.47 4.6220 4 0 0 1 20.12 26.23 4.4142 -1 3 1 2 20.19 22.81 4.3991 1 3 1 2 20.27 44.04 4.3804 -3 1 1 2 20.48 10.38 4.3365 3 1 1 2 21.06 16.26 4.2177 2 4 0 2 21.39 9.52 4.1545 4 2 0 2 24.27 3.64 3.6669 -3 3 1 2 24.45 12.95 3.6410 3 3 1 2 26.94 2.21 3.3091 4 4 0 2 27.61 10.49 3.2303 -1 5 1 2 27.67 9.64 3.2243 1 5 1 2 28.01 12.03 3.1851 -5 1 1 2 28.27 18.53 3.1569 5 1 1 2 28.95 6.20 3.0842 -2 0 2 1 28.97 11.12 3.0822 0 2 2 2 29.15 7.75 3.0636 2 0 2 1 29.88 6.70 2.9900 2 6 0 2 30.48 38.89 2.9329 -2 2 2 2 30.51 8.57 2.9304 6 2 0 2 30.67 12.82 2.9152 2 2 2 2 30.83 34.13 2.9003 -3 5 1 2 30.97 63.04 2.8874 3 5 1 2 31.09 27.81 2.8768 -5 3 1 2 31.32 53.78 2.8560 5 3 1 2 33.36 2.14 2.6856 0 4 2 2 34.38 1.66 2.6085 4 6 0 2 34.70 3.66 2.5851 -2 4 2 2 34.72 4.05 2.5834 6 4 0 2 34.82 4.79 2.5764 -4 2 2 2 34.87 1.03 2.5729 2 4 2 2 35.16 2.09 2.5525 4 2 2 2 36.22 3.96 2.4799 -1 7 1 2 36.26 5.59 2.4772 1 7 1 2 36.74 3.28 2.4462 5 5 1 2 36.89 3.88 2.4366 -7 1 1 2 37.17 8.99 2.4189 7 1 1 2 38.63 1.40 2.3310 -4 4 2 2 38.80 3.72 2.3208 -3 7 1 2 38.92 1.67 2.3142 3 7 1 2 38.97 1.13 2.3110 8 0 0 1 39.24 3.75 2.2956 2 8 0 2 39.35 2.20 2.2900 -7 3 1 2 39.73 7.81 2.2687 0 6 2 2 40.05 5.06 2.2511 -6 0 2 1 40.16 2.64 2.2452 8 2 0 2 40.89 10.18 2.2071 -2 6 2 2 40.91 12.60 2.2061 6 6 0 2 41.03 2.93 2.1995 2 6 2 2 41.22 3.25 2.1902 -6 2 2 2 41.65 6.98 2.1682 6 2 2 2 42.20 3.17 2.1416 1 1 3 2 42.89 1.73 2.1088 4 8 0 2 43.57 3.81 2.0772 8 4 0 2 43.91 1.33 2.0619 -7 5 1 2 44.15 1.13 2.0512 7 5 1 2 44.30 2.77 2.0445 -1 3 3 2 44.41 2.89 2.0400 1 3 3 2 44.56 2.03 2.0334 -6 4 2 2 44.62 5.61 2.0307 3 1 3 2 44.62 1.45 2.0306 4 6 2 2 45.50 2.50 1.9935 -1 9 1 2 46.44 9.11 1.9552 -3 3 3 2 46.45 1.24 1.9548 -9 1 1 2 46.75 1.11 1.9430 9 1 1 2 47.43 1.25 1.9168 0 8 2 2 47.76 3.79 1.9044 3 9 1 2 47.99 1.51 1.8959 0 10 0 2 48.44 2.00 1.8792 -2 8 2 2 48.46 1.11 1.8785 6 8 0 2 48.59 1.99 1.8738 1 5 3 2 48.80 2.09 1.8662 9 3 1 2 48.82 2.31 1.8653 8 6 0 2 49.05 3.63 1.8572 2 10 0 2 49.09 3.47 1.8557 5 1 3 2 49.54 5.50 1.8401 8 2 2 2 50.13 6.20 1.8198 -7 7 1 2 50.28 5.06 1.8146 10 2 0 2 50.35 1.80 1.8123 7 7 1 2 50.49 5.45 1.8075 -3 5 3 2 50.60 7.66 1.8038 -5 3 3 2 50.77 3.08 1.7981 3 5 3 2 51.07 1.42 1.7885 5 3 3 2 51.75 3.29 1.7666 4 8 2 2 51.81 2.78 1.7646 -5 9 1 2 51.98 1.53 1.7594 -8 4 2 2 52.14 5.31 1.7541 4 10 0 2 52.44 3.24 1.7448 -9 5 1 2 52.46 1.35 1.7442 8 4 2 2 53.18 3.55 1.7224 10 4 0 2 54.42 1.83 1.6859 -5 5 3 2 54.87 4.26 1.6733 5 5 3 2 55.35 1.78 1.6600 -1 11 1 2 55.37 3.57 1.6592 1 11 1 2 55.54 1.17 1.6545 8 8 0 2 56.12 8.90 1.6388 0 10 2 2 56.37 1.78 1.6322 -6 8 2 2 56.46 1.09 1.6298 -7 3 3 2 56.47 6.41 1.6297 0 0 4 1 56.62 1.77 1.6257 -11 1 1 2 56.93 4.28 1.6174 11 1 1 2 57.01 4.92 1.6155 -10 0 2 1 57.02 1.37 1.6151 -2 10 2 2 57.04 1.12 1.6147 6 10 0 2 57.10 1.87 1.6130 8 6 2 2 57.58 2.15 1.6008 10 0 2 1 57.64 1.95 1.5992 -7 9 1 2 57.78 1.82 1.5957 10 6 0 2 57.84 1.62 1.5942 7 9 1 2 57.98 1.51 1.5906 -9 7 1 2 58.24 2.40 1.5843 9 7 1 2 59.84 1.38 1.5456 -5 7 3 2 59.99 1.13 1.5420 4 10 2 2 60.03 2.07 1.5412 -7 5 3 2 60.26 1.83 1.5359 5 7 3 2 60.55 3.00 1.5291 -10 4 2 2 60.84 1.69 1.5226 -2 4 4 2 62.08 2.77 1.4950 4 12 0 2 62.79 5.44 1.4799 -8 8 2 2 63.19 1.76 1.4714 -3 9 3 2 63.22 8.03 1.4708 8 8 2 2 63.44 2.07 1.4664 3 9 3 2 63.49 2.95 1.4652 12 4 0 2 63.74 1.43 1.4601 -9 3 3 2 65.09 3.35 1.4330 -2 6 4 2 65.13 1.74 1.4323 9 9 1 2 65.22 1.37 1.4304 -6 2 4 2 65.30 1.47 1.4288 2 6 4 2 65.86 1.86 1.4181 6 2 4 2 66.24 1.05 1.4110 -7 11 1 2 67.03 1.55 1.3963 5 9 3 2 67.51 1.34 1.3874 -3 13 1 2 67.60 1.31 1.3859 -4 6 4 2 67.70 2.57 1.3839 -6 4 4 2 67.78 1.29 1.3826 9 5 3 2 68.01 1.64 1.3784 4 6 4 2 68.33 1.34 1.3728 6 4 4 2 68.34 1.02 1.3726 12 2 2 2 69.40 1.13 1.3542 13 3 1 2 70.07 1.70 1.3428 0 8 4 2 70.82 2.87 1.3305 -2 8 4 2 70.90 1.00 1.3293 -5 13 1 2 71.02 1.16 1.3272 2 8 4 2 71.02 2.70 1.3272 5 13 1 2 71.13 1.14 1.3254 -8 2 4 2 71.24 2.12 1.3236 10 10 0 2 71.51 1.14 1.3194 11 1 3 2 71.67 2.61 1.3167 -7 9 3 2 71.75 2.11 1.3156 -6 6 4 2 71.93 2.54 1.3127 -9 7 3 2 71.95 1.90 1.3124 8 2 4 2 72.21 2.47 1.3083 7 9 3 2 72.23 1.12 1.3079 14 2 0 2 72.28 3.08 1.3072 -13 5 1 2 72.61 1.35 1.3021 13 5 1 2 72.61 1.94 1.3020 9 7 3 2 72.85 1.32 1.2984 -1 1 5 2 73.19 1.76 1.2932 -6 12 2 2 73.49 1.36 1.2886 6 12 2 2 74.14 1.28 1.2790 -12 6 2 2 74.32 1.20 1.2762 8 4 4 2 74.74 1.60 1.2702 12 6 2 2 76.90 1.95 1.2398 6 14 0 2 77.01 1.24 1.2382 -1 15 1 2 77.04 3.19 1.2379 1 15 1 2 78.50 1.96 1.2184 14 6 0 2 78.62 1.11 1.2169 -3 15 1 2 79.08 2.38 1.2110 -15 1 1 2 79.42 1.67 1.2066 3 5 5 2 79.45 1.55 1.2063 15 1 1 2 79.70 1.33 1.2030 5 3 5 2 80.24 1.14 1.1963 -4 10 4 2 80.63 1.53 1.1915 4 10 4 2 80.78 1.41 1.1897 -10 4 4 2 81.17 2.09 1.1849 -11 11 1 2 83.94 2.14 1.1528 -5 13 3 2 84.30 1.69 1.1488 5 13 3 2 85.06 1.23 1.1404 -13 5 3 2 86.01 1.98 1.1303 13 5 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.