Vaterite Demichelis R, Raiteri P, Gale J D, Dovesi R Crystal Growth & Design 13 (2013) 2247-2251 The multiple structures of vaterite Locality: theoretical _database_code_amcsd 0019865 CELL PARAMETERS: 12.3530 7.1020 25.7330 90.460 99.780 90.240 SPACE GROUP: C1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2224.666 Density (g/cm3): 2.689 MAX. ABS. INTENSITY / VOLUME**2: 3.932058938 RIR: 0.476 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.04 1.26 5.8915 -2 0 2 1 15.52 1.27 5.7109 -1 1 2 1 21.02 28.83 4.2263 0 0 6 1 21.10 1.87 4.2113 1 1 4 1 21.83 1.31 4.0719 -1 1 5 1 21.89 1.70 4.0595 2 0 4 1 24.46 1.34 3.6395 -1 -1 6 1 24.61 2.58 3.6175 -1 1 6 1 24.95 57.98 3.5687 -3 1 1 1 25.05 57.19 3.5554 -3 -1 1 1 25.08 57.06 3.5508 0 2 0 1 26.12 1.05 3.4118 3 1 1 1 26.12 1.47 3.4114 0 2 2 1 26.41 3.80 3.3752 -2 0 7 1 27.08 48.85 3.2928 -3 -1 4 1 27.08 51.15 3.2927 -3 1 4 1 27.15 45.64 3.2841 0 -2 3 1 27.16 45.17 3.2827 3 -1 2 1 27.33 51.45 3.2634 0 2 3 1 27.34 49.39 3.2621 3 1 2 1 27.67 1.28 3.2243 2 0 6 1 29.48 3.07 3.0302 -2 0 8 1 29.58 2.82 3.0197 1 -1 7 1 30.45 1.34 2.9359 2 -2 2 1 30.53 2.97 2.9280 -1 -1 8 1 30.71 1.68 2.9117 -1 1 8 1 30.79 1.02 2.9037 2 0 7 1 31.26 1.60 2.8617 -2 -2 4 1 31.33 1.34 2.8554 -2 2 4 1 31.74 2.20 2.8195 2 -2 3 1 32.70 38.45 2.7385 -3 -1 7 1 32.75 13.75 2.7347 -2 -2 5 1 32.78 41.84 2.7324 -3 1 7 1 32.80 36.31 2.7306 0 -2 6 1 32.86 1.61 2.7253 -2 2 5 1 32.92 41.71 2.7210 3 -1 5 1 32.93 5.04 2.7199 4 0 3 1 33.09 42.01 2.7069 0 2 6 1 33.14 45.22 2.7033 3 1 5 1 33.23 8.47 2.6964 -4 0 6 1 33.37 8.95 2.6853 2 -2 4 1 34.55 1.05 2.5957 -2 -2 6 1 35.14 1.72 2.5536 -4 0 7 1 35.30 2.71 2.5426 2 -2 5 1 36.32 1.22 2.4733 1 1 9 1 36.94 2.54 2.4335 4 0 5 1 37.32 1.77 2.4093 -4 0 8 1 38.79 1.19 2.3212 1 3 0 1 38.80 1.04 2.3208 -5 1 3 1 38.88 4.35 2.3164 -5 -1 3 1 39.01 5.61 2.3087 -4 2 3 1 39.09 1.67 2.3043 4 2 0 1 39.11 4.82 2.3030 1 3 1 1 39.17 1.26 2.3001 -1 -3 2 1 39.18 2.12 2.2991 5 1 0 1 39.19 6.57 2.2985 -2 2 8 1 39.21 2.12 2.2977 -1 3 2 1 39.31 7.76 2.2919 4 0 6 1 39.37 2.46 2.2885 -2 0 11 1 39.72 2.51 2.2691 1 1 10 1 39.73 3.64 2.2686 -4 0 9 1 39.79 1.22 2.2655 5 -1 1 1 39.91 2.61 2.2587 2 -2 7 1 39.95 1.82 2.2568 5 1 1 1 40.32 7.73 2.2371 2 2 7 1 40.46 1.02 2.2293 1 -3 3 1 40.59 1.86 2.2225 -3 -1 10 1 40.70 3.16 2.2167 0 -2 9 1 40.71 2.43 2.2163 -1 1 11 1 40.89 2.82 2.2069 3 -1 8 1 41.50 1.04 2.1759 -2 -2 9 1 41.54 4.22 2.1742 -5 -1 6 1 41.68 1.54 2.1672 1 -3 4 1 41.76 1.12 2.1632 -2 2 9 1 42.00 2.89 2.1514 1 3 4 1 42.00 1.11 2.1510 4 2 3 1 42.09 4.66 2.1468 -4 2 6 1 42.14 1.94 2.1443 -1 -3 5 1 42.20 1.37 2.1413 5 -1 3 1 42.79 20.61 2.1132 0 0 12 1 43.98 58.02 2.0587 -6 0 2 1 44.04 55.94 2.0560 -3 3 1 1 44.10 1.08 2.0536 -6 0 3 1 44.19 2.14 2.0497 -3 3 0 1 44.21 1.37 2.0489 -3 3 2 1 44.21 56.89 2.0484 -3 -3 1 1 44.22 1.12 2.0483 -2 -2 10 1 44.32 2.17 2.0439 2 0 11 1 44.72 1.45 2.0263 -3 -3 3 1 46.52 1.75 1.9521 1 -1 12 1 49.02 8.94 1.8582 -6 0 8 1 49.18 10.83 1.8526 -3 -3 7 1 49.23 11.60 1.8508 3 -3 5 1 49.34 6.78 1.8469 -3 3 7 1 49.44 9.88 1.8435 6 0 4 1 49.71 8.64 1.8342 3 3 5 1 49.91 26.71 1.8271 -3 -1 13 1 50.03 26.91 1.8230 0 -2 12 1 50.07 23.52 1.8217 -3 1 13 1 50.27 24.26 1.8149 3 -1 11 1 50.45 22.19 1.8089 0 2 12 1 50.53 21.61 1.8062 3 1 11 1 51.14 1.08 1.7860 -3 3 8 1 51.20 3.19 1.7843 -6 2 2 1 51.36 1.26 1.7789 2 -2 11 1 51.40 3.31 1.7777 -6 -2 2 1 51.47 3.24 1.7754 0 4 0 1 52.91 1.25 1.7305 -3 -3 9 1 53.57 1.10 1.7106 3 3 7 1 53.81 1.66 1.7036 4 0 11 1 53.92 1.09 1.7003 -5 -1 12 1 53.98 1.16 1.6987 2 -4 1 1 54.69 1.67 1.6782 1 3 10 1 54.75 2.00 1.6767 4 2 9 1 55.08 2.63 1.6674 -4 2 12 1 55.31 2.15 1.6609 5 -1 9 1 55.84 9.43 1.6464 -6 -2 8 1 55.84 9.54 1.6463 -6 2 8 1 55.92 1.07 1.6441 -5 3 6 1 56.00 8.16 1.6421 0 -4 6 1 56.03 1.85 1.6414 -2 -4 5 1 56.03 8.04 1.6413 6 -2 4 1 56.14 1.32 1.6384 -7 1 7 1 56.17 1.38 1.6374 -7 -1 7 1 56.33 1.63 1.6334 5 -3 3 1 56.39 10.39 1.6317 0 4 6 1 56.41 9.92 1.6310 6 2 4 1 56.95 1.94 1.6169 -2 2 14 1 57.71 1.47 1.5975 -4 0 15 1 58.61 1.12 1.5751 -5 3 8 1 59.91 1.67 1.5440 -8 0 3 1 60.07 2.63 1.5402 -8 0 4 1 60.20 3.38 1.5373 -4 4 0 1 60.46 2.03 1.5312 7 -1 5 1 60.49 3.33 1.5305 -4 -4 3 1 60.89 1.18 1.5214 2 -4 7 1 61.29 1.06 1.5124 -6 -2 11 1 61.48 1.38 1.5081 0 -4 9 1 61.50 1.79 1.5077 5 3 6 1 62.69 2.57 1.4821 -6 0 14 1 62.77 1.60 1.4802 -3 -3 13 1 62.99 1.36 1.4756 3 -3 11 1 63.18 3.44 1.4716 -3 3 13 1 63.39 2.34 1.4673 6 0 10 1 63.67 3.24 1.4616 3 3 11 1 67.21 1.07 1.3928 -2 -2 17 1 68.53 3.05 1.3692 -6 -2 14 1 68.71 2.33 1.3662 -6 2 14 1 68.76 3.33 1.3653 0 -4 12 1 69.03 2.96 1.3605 6 -2 10 1 69.45 1.65 1.3534 0 4 12 1 69.55 2.20 1.3517 6 2 10 1 71.74 2.79 1.3156 -3 -1 19 1 71.88 3.15 1.3135 0 -2 18 1 71.96 2.67 1.3123 -3 1 19 1 72.20 3.40 1.3085 3 -1 17 1 72.39 3.42 1.3055 0 2 18 1 72.49 3.62 1.3039 3 1 17 1 73.54 2.35 1.2878 -9 1 9 1 73.58 2.70 1.2872 -9 -1 9 1 73.81 2.61 1.2838 6 -4 4 1 73.82 2.27 1.2837 -6 -4 8 1 73.82 2.63 1.2836 -6 4 8 1 73.86 2.08 1.2831 3 -5 5 1 73.90 2.60 1.2824 -3 -5 7 1 73.95 2.82 1.2818 9 -1 3 1 74.11 2.54 1.2793 -3 5 7 1 74.16 2.84 1.2787 9 1 3 1 74.48 3.04 1.2739 6 4 4 1 74.48 2.46 1.2739 3 5 5 1 79.28 1.09 1.2084 8 2 8 1 80.79 1.43 1.1896 -9 3 3 1 81.16 1.71 1.1851 -9 -3 3 1 81.28 1.62 1.1836 0 6 0 1 84.64 1.43 1.1450 -9 -3 9 1 84.75 1.04 1.1438 9 -3 3 1 84.88 1.30 1.1424 0 -6 6 1 84.96 1.05 1.1416 -8 -2 16 1 85.15 1.13 1.1395 -6 -4 14 1 85.27 1.11 1.1382 -3 -5 13 1 85.36 1.02 1.1373 9 3 3 1 85.38 1.08 1.1370 3 -5 11 1 85.79 1.05 1.1326 9 -1 9 1 86.07 1.14 1.1297 9 1 9 1 87.86 1.75 1.1112 -6 -2 20 1 88.14 1.81 1.1084 0 -4 18 1 88.18 1.64 1.1080 -6 2 20 1 88.64 2.22 1.1034 6 -2 16 1 89.11 1.75 1.0988 0 4 18 1 89.28 2.28 1.0971 6 2 16 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.