Vaterite Mugnaioli E, Andrusenko I, Schuler T, Loges N, Dinnebier R E, Panthofer M, Tremel W, Kolb U Angewandte Chemie 124 (2012) 1-6 Ab-initio-Strukturbestimmung von Vaterit mit automatischer Beugungstomographie Locality: synthetic _database_code_amcsd 0019138 CELL PARAMETERS: 12.1700 7.1200 9.4700 90.000 118.370 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 722.026 Density (g/cm3): 2.762 MAX. ABS. INTENSITY / VOLUME**2: 4.785075903 RIR: 0.564 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.94 1.14 5.9290 1 1 0 4 21.33 25.54 4.1663 0 0 2 2 22.63 3.08 3.9297 -1 1 2 4 25.01 66.87 3.5600 0 2 0 2 25.29 94.09 3.5210 -3 1 1 4 27.03 88.27 3.2983 -3 1 2 4 27.24 62.23 3.2737 0 2 1 4 27.96 47.67 3.1909 3 1 0 4 29.26 6.55 3.0520 1 1 2 4 29.89 1.04 2.9889 -4 0 2 2 30.15 1.12 2.9645 2 2 0 4 31.78 4.39 2.8159 -1 1 3 4 32.12 8.07 2.7864 -2 2 2 4 32.53 100.00 2.7526 -3 1 3 4 32.92 1.44 2.7207 2 0 2 2 33.10 62.54 2.7065 0 2 2 4 33.47 6.30 2.6771 4 0 0 2 34.09 51.26 2.6301 3 1 1 4 34.68 10.61 2.5864 2 2 1 4 38.13 9.43 2.3603 -2 2 3 4 38.20 1.59 2.3562 -2 0 4 2 38.87 1.20 2.3171 1 3 0 4 39.15 4.36 2.3011 -5 1 2 4 39.27 2.76 2.2941 -1 3 1 4 39.36 6.60 2.2891 -4 2 2 4 40.29 6.69 2.2385 -4 0 4 2 41.13 2.46 2.1947 -5 1 3 4 41.22 1.23 2.1899 0 2 3 4 41.79 4.29 2.1617 2 2 2 4 42.02 1.51 2.1502 -1 1 4 4 42.24 1.53 2.1396 4 2 0 4 42.37 1.72 2.1333 3 1 2 4 42.65 2.03 2.1197 -1 3 2 4 43.44 16.47 2.0832 0 0 4 2 44.23 73.62 2.0478 -3 3 1 4 44.74 33.40 2.0255 -6 0 2 2 48.36 1.82 1.8820 4 0 2 2 48.95 5.80 1.8609 -6 0 4 2 49.04 12.76 1.8576 -3 3 3 4 49.82 25.78 1.8303 -3 1 5 4 50.16 15.44 1.8186 3 3 1 4 50.78 27.98 1.7980 0 2 4 4 51.18 9.20 1.7847 6 0 0 2 51.33 4.27 1.7800 0 4 0 2 51.94 7.32 1.7605 -6 2 2 4 52.03 28.11 1.7577 3 1 3 4 52.71 1.94 1.7367 -5 1 5 4 55.74 16.77 1.6492 -6 2 4 4 56.19 12.79 1.6369 0 4 2 4 56.27 2.01 1.6350 -1 3 4 4 57.25 1.47 1.6091 2 4 1 4 57.79 12.19 1.5955 6 2 0 4 59.65 1.28 1.5500 -2 4 3 4 60.49 2.39 1.5304 -4 4 1 4 62.21 2.93 1.4923 -6 0 6 2 62.77 5.08 1.4803 -3 3 5 4 64.68 4.66 1.4411 3 3 3 4 66.02 2.11 1.4151 6 0 2 2 68.13 2.76 1.3763 -6 2 6 4 69.46 3.88 1.3533 0 4 4 4 70.04 2.43 1.3434 -3 5 1 4 70.42 1.66 1.3371 -6 4 2 4 71.06 2.10 1.3267 -9 1 3 4 71.78 3.28 1.3150 6 2 2 4 71.92 3.97 1.3128 -3 1 7 4 73.15 3.15 1.2938 0 2 6 4 73.64 4.79 1.2863 -6 4 4 4 73.72 3.26 1.2852 -3 5 3 4 73.82 4.19 1.2836 -9 1 5 4 74.61 2.95 1.2721 3 5 1 4 74.61 2.92 1.2720 3 1 5 4 75.42 3.33 1.2603 6 4 0 4 76.48 2.94 1.2455 -9 1 1 4 81.03 1.18 1.1867 0 6 0 2 82.95 1.37 1.1640 -3 3 7 4 84.51 1.25 1.1464 -9 1 7 4 84.77 1.04 1.1436 -6 4 6 4 84.98 1.14 1.1413 0 6 2 4 85.27 1.23 1.1382 -3 5 5 4 86.99 1.34 1.1201 3 5 3 4 88.21 1.03 1.1077 6 4 2 4 89.51 1.49 1.0949 0 4 6 4 89.66 1.07 1.0935 9 1 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.