Datolite Foit F F, Phillips M W, Gibbs G V American Mineralogist 58 (1973) 909-914 A refinement of the crystal structure of datolite, CaBSiO4(OH) _database_code_amcsd 0000387 CELL PARAMETERS: 4.8320 7.6080 9.6360 90.000 90.400 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 354.229 Density (g/cm3): 2.999 MAX. ABS. INTENSITY / VOLUME**2: 5.455192106 RIR: 0.592 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.84 10.47 5.9711 0 1 1 4 18.36 20.12 4.8319 1 0 0 2 18.42 2.20 4.8179 0 0 2 2 23.39 6.34 3.8040 0 2 0 2 23.64 26.31 3.7641 -1 1 1 4 23.74 48.24 3.7482 1 1 1 4 26.03 2.53 3.4237 -1 0 2 2 26.21 45.72 3.3998 1 0 2 2 28.59 100.00 3.1221 -1 1 2 4 28.76 56.56 3.1040 1 1 2 4 29.89 56.66 2.9889 1 2 0 4 29.93 20.04 2.9856 0 2 2 4 31.30 79.08 2.8582 -1 2 1 4 31.37 49.06 2.8512 1 2 1 4 35.27 1.87 2.5448 -1 2 2 4 35.41 6.51 2.5349 1 2 2 4 35.47 20.04 2.5307 -1 1 3 4 35.68 45.41 2.5162 1 1 3 4 36.62 1.01 2.4541 0 2 3 4 36.64 2.22 2.4525 0 3 1 4 37.33 14.88 2.4089 0 0 4 2 39.23 16.79 2.2966 0 1 4 4 40.16 26.44 2.2455 1 3 0 4 40.18 37.65 2.2441 0 3 2 4 40.21 22.52 2.2429 -2 1 1 4 41.17 39.08 2.1928 -1 2 3 4 41.31 6.08 2.1853 1 3 1 4 41.35 26.83 2.1834 1 2 3 4 41.71 6.55 2.1657 -2 0 2 2 41.78 8.16 2.1619 -1 0 4 2 42.03 13.54 2.1499 1 0 4 2 43.52 8.20 2.0796 -1 1 4 4 43.76 1.48 2.0689 1 1 4 4 44.42 4.27 2.0394 2 2 0 4 44.46 4.14 2.0378 -1 3 2 4 44.52 1.16 2.0352 0 2 4 4 45.40 16.26 1.9976 -2 2 1 4 45.52 21.81 1.9928 2 2 1 4 45.58 8.70 1.9904 0 3 3 4 47.82 9.05 1.9020 0 4 0 2 48.43 5.03 1.8796 -1 2 4 4 48.49 19.46 1.8773 -2 1 3 4 48.58 3.90 1.8741 2 2 2 4 48.74 2.27 1.8682 0 1 5 4 48.80 6.60 1.8660 0 4 1 4 48.82 23.91 1.8655 2 1 3 4 49.61 1.64 1.8376 1 3 3 4 51.65 18.18 1.7698 1 4 0 4 51.67 9.05 1.7691 0 4 2 4 52.39 7.19 1.7466 0 3 4 4 52.39 2.68 1.7464 -1 1 5 4 52.60 2.13 1.7399 1 4 1 4 53.17 5.33 1.7226 -2 3 1 4 53.29 19.55 1.7191 0 2 5 4 53.53 11.27 1.7118 -2 0 4 2 54.98 3.47 1.6701 -2 1 4 4 55.38 24.01 1.6590 2 1 4 4 55.82 21.97 1.6469 -2 3 2 4 55.88 12.64 1.6452 -1 3 4 4 56.02 17.15 1.6416 2 3 2 4 56.08 10.10 1.6399 1 3 4 4 56.72 6.43 1.6229 -1 2 5 4 56.97 2.07 1.6165 1 2 5 4 57.19 6.42 1.6106 3 0 0 2 57.38 3.75 1.6060 0 0 6 2 59.19 6.98 1.5611 -2 2 4 4 59.72 2.06 1.5484 1 4 3 4 60.64 7.47 1.5272 -1 0 6 2 60.76 7.70 1.5243 3 0 2 2 60.92 5.35 1.5208 1 0 6 2 61.82 7.05 1.5007 -3 1 2 4 62.10 3.31 1.4946 3 1 2 4 62.64 1.45 1.4832 3 2 0 4 62.81 8.96 1.4795 0 2 6 4 62.89 3.00 1.4778 -2 4 1 4 63.39 3.16 1.4673 -3 2 1 4 63.53 3.24 1.4645 3 2 1 4 63.74 1.16 1.4601 1 3 5 4 64.17 2.08 1.4513 1 5 0 4 64.19 1.40 1.4510 0 5 2 4 64.96 5.91 1.4356 -1 5 1 4 65.00 1.61 1.4347 1 5 1 4 65.29 1.09 1.4291 -2 4 2 4 65.35 1.53 1.4280 -1 4 4 4 65.47 4.25 1.4256 2 4 2 4 65.53 3.40 1.4245 1 4 4 4 65.84 3.58 1.4185 -3 1 3 4 65.91 1.97 1.4172 -1 2 6 4 66.18 1.28 1.4121 1 2 6 4 66.24 1.62 1.4108 3 1 3 4 67.01 1.73 1.3966 2 2 5 4 67.43 1.25 1.3889 1 5 2 4 69.09 7.68 1.3596 3 3 0 4 69.22 1.64 1.3572 -2 4 3 4 70.05 3.65 1.3432 3 2 3 4 71.24 5.35 1.3236 -1 5 3 4 71.29 1.10 1.3228 -3 1 4 4 71.37 7.95 1.3215 1 5 3 4 71.81 1.38 1.3146 3 1 4 4 72.32 3.95 1.3066 -1 1 7 4 72.47 1.14 1.3043 1 3 6 4 72.62 3.20 1.3019 1 4 5 4 73.63 1.62 1.2865 0 5 4 4 74.89 5.17 1.2680 0 6 0 2 74.98 5.16 1.2666 -3 2 4 4 75.07 2.41 1.2654 -2 2 6 4 75.65 2.16 1.2572 0 6 1 4 75.82 1.49 1.2547 -3 3 3 4 75.99 1.09 1.2524 -1 2 7 4 76.20 1.88 1.2494 3 3 3 4 76.28 3.40 1.2483 1 2 7 4 76.52 1.41 1.2450 -2 5 2 4 76.57 1.55 1.2443 -1 5 4 4 76.68 1.95 1.2427 2 5 2 4 76.74 2.34 1.2420 1 5 4 4 77.69 7.10 1.2291 3 4 0 4 77.84 10.40 1.2271 0 4 6 4 78.38 1.15 1.2201 -3 4 1 4 78.50 1.88 1.2184 3 4 1 4 79.31 4.08 1.2080 4 0 0 2 79.59 1.40 1.2045 0 0 8 2 80.22 5.42 1.1966 -2 5 3 4 80.41 1.06 1.1942 0 5 5 4 80.47 8.01 1.1935 2 5 3 4 80.51 2.02 1.1930 4 1 0 4 80.78 6.37 1.1897 0 1 8 4 80.92 2.09 1.1881 1 6 2 4 81.00 1.26 1.1870 -3 3 4 4 81.17 2.37 1.1850 -2 1 7 4 81.34 1.06 1.1830 4 1 1 4 81.50 6.70 1.1811 3 3 4 4 81.67 4.00 1.1790 -3 2 5 4 82.27 1.14 1.1719 1 3 7 4 82.28 3.11 1.1717 3 2 5 4 83.26 1.04 1.1605 -1 5 5 4 84.73 3.30 1.1441 -2 2 7 4 84.89 2.11 1.1423 4 2 1 4 84.99 2.24 1.1412 -3 0 6 2 85.30 3.89 1.1379 2 2 7 4 85.73 4.26 1.1333 3 0 6 2 86.17 1.07 1.1286 -3 1 6 4 86.73 1.42 1.1228 2 6 0 4 86.80 3.17 1.1221 0 6 4 4 86.91 1.51 1.1209 3 1 6 4 87.18 1.17 1.1181 4 2 2 4 87.42 2.69 1.1156 -2 6 1 4 89.17 2.45 1.0983 3 5 1 4 89.27 5.43 1.0972 -3 4 4 4 89.36 4.85 1.0964 -2 4 6 4 89.85 1.90 1.0917 2 4 6 4 89.97 1.50 1.0906 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.