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 0019868 CELL PARAMETERS: 12.2810 7.1420 9.3710 90.000 115.480 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 741.993 Density (g/cm3): 2.687 MAX. ABS. INTENSITY / VOLUME**2: 6.027860578 RIR: 0.730 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.75 2.64 6.0040 1 1 0 2 15.99 2.19 5.5432 2 0 0 1 20.20 2.68 4.3962 -2 0 2 1 21.00 19.22 4.2298 0 0 2 1 22.72 4.41 3.9137 -1 1 2 2 24.93 40.24 3.5710 0 2 0 2 25.07 72.81 3.5515 -3 1 1 2 27.10 67.79 3.2899 0 2 1 2 27.17 59.58 3.2822 3 1 0 2 27.30 69.61 3.2672 -3 1 2 2 28.50 7.63 3.1314 1 1 2 2 31.65 2.46 2.8269 2 0 2 1 31.76 2.39 2.8174 -1 1 3 2 32.30 4.06 2.7718 -2 2 2 2 32.30 14.31 2.7716 4 0 0 1 32.82 50.41 2.7286 0 2 2 2 32.82 49.59 2.7285 3 1 1 2 33.04 60.55 2.7114 -3 1 3 2 33.93 16.05 2.6418 2 2 1 2 38.37 13.73 2.3461 -2 2 3 2 38.48 4.89 2.3394 -2 0 4 1 38.68 2.14 2.3276 1 3 0 2 38.82 2.57 2.3195 -4 2 1 2 38.96 4.61 2.3115 -5 1 2 2 39.20 5.29 2.2979 -1 3 1 2 39.39 5.96 2.2876 -4 2 2 2 39.39 2.40 2.2875 -5 1 1 2 40.71 7.95 2.2165 2 2 2 2 40.73 3.55 2.2153 3 1 2 2 40.77 5.39 2.2131 0 2 3 2 41.00 1.44 2.2016 -3 1 4 2 41.06 5.17 2.1981 -4 0 4 1 41.14 1.52 2.1941 1 3 1 2 41.23 4.34 2.1895 4 2 0 2 41.50 3.00 2.1762 -5 1 3 2 41.85 4.13 2.1586 -1 1 4 2 42.61 3.50 2.1218 -1 3 2 2 42.70 2.95 2.1176 5 1 0 2 42.76 14.57 2.1149 0 0 4 1 42.83 2.13 2.1116 -4 2 3 2 44.00 75.77 2.0580 -3 3 1 2 44.25 40.21 2.0468 -6 0 2 1 45.31 1.38 2.0013 3 3 0 2 45.39 2.46 1.9979 -3 3 2 2 46.18 1.38 1.9656 1 3 2 2 46.24 1.51 1.9632 4 0 2 1 46.40 2.77 1.9568 -2 2 4 2 48.41 1.01 1.8803 5 1 1 2 49.16 12.74 1.8532 3 3 1 2 49.22 1.11 1.8513 2 2 3 2 49.32 10.91 1.8479 -3 3 3 2 49.32 8.30 1.8477 6 0 0 1 49.62 7.66 1.8371 -6 0 4 1 50.06 39.13 1.8222 3 1 3 2 50.13 31.74 1.8197 0 2 4 2 50.36 29.14 1.8120 -3 1 5 2 51.16 1.84 1.7855 0 4 0 2 51.46 4.39 1.7758 -6 2 2 2 52.37 3.14 1.7470 0 4 1 2 52.59 2.32 1.7401 -6 2 1 2 52.74 1.38 1.7357 -6 2 3 2 53.25 1.53 1.7204 4 2 2 2 53.68 2.77 1.7075 -5 1 5 2 53.95 1.92 1.6995 2 4 0 2 54.10 1.75 1.6953 -5 3 1 2 55.15 1.86 1.6653 3 3 2 2 55.37 1.53 1.6594 -3 3 4 2 55.76 2.15 1.6485 -5 3 3 2 55.77 1.74 1.6484 -7 1 1 2 55.81 2.25 1.6472 -2 2 5 2 55.89 10.96 1.6449 0 4 2 2 56.04 12.55 1.6411 6 2 0 2 56.05 4.25 1.6408 -1 3 4 2 56.32 13.97 1.6336 -6 2 4 2 56.63 2.92 1.6253 2 4 1 2 58.99 1.12 1.5657 2 2 4 2 59.40 1.49 1.5560 -4 0 6 1 59.71 2.30 1.5487 -2 4 3 2 59.81 1.61 1.5462 7 1 0 2 59.94 1.44 1.5431 -5 3 4 2 60.04 5.93 1.5410 -4 4 1 2 60.45 1.00 1.5315 -4 4 2 2 60.72 2.60 1.5253 -8 0 2 1 61.47 1.50 1.5085 0 4 3 2 61.49 1.08 1.5081 5 3 1 2 61.54 3.06 1.5070 6 2 1 2 61.89 1.00 1.4993 1 3 4 2 62.01 1.78 1.4965 -7 1 5 2 62.90 2.36 1.4776 3 3 3 2 63.16 4.24 1.4722 -3 3 5 2 63.48 2.63 1.4654 -6 0 6 1 65.66 1.23 1.4220 4 4 1 2 66.05 1.29 1.4144 -5 3 5 2 66.11 1.05 1.4135 4 0 4 1 68.81 3.66 1.3643 0 4 4 2 68.82 5.23 1.3642 6 2 2 2 69.31 2.58 1.3557 -6 2 6 2 69.89 1.11 1.3459 2 2 5 2 70.23 1.06 1.3403 -9 1 3 2 70.71 1.62 1.3323 3 5 0 2 70.77 1.25 1.3313 -3 5 2 2 70.99 1.46 1.3278 -6 4 3 2 71.89 4.21 1.3133 3 1 5 2 72.01 4.10 1.3114 0 2 6 2 72.25 5.07 1.3076 -3 1 7 2 73.68 2.64 1.2858 3 5 1 2 73.80 3.11 1.2840 -3 5 3 2 73.80 3.79 1.2840 6 4 0 2 74.04 3.91 1.2804 -6 4 4 2 74.04 4.18 1.2803 -9 1 1 2 74.41 4.18 1.2750 -9 1 5 2 76.96 1.36 1.2389 1 5 3 2 77.68 1.35 1.2292 -8 2 6 2 79.84 1.50 1.2014 -7 3 6 2 80.73 1.17 1.1903 0 6 0 2 81.26 2.60 1.1838 -9 3 3 2 84.52 1.20 1.1463 3 1 6 2 84.92 2.06 1.1419 -9 3 1 2 85.25 1.67 1.1384 3 5 3 2 85.27 2.22 1.1381 -9 3 5 2 85.31 1.53 1.1377 6 4 2 2 85.49 2.21 1.1358 9 1 1 2 85.78 1.19 1.1327 -6 4 6 2 86.19 1.32 1.1284 -9 1 7 2 87.30 1.10 1.1168 -1 5 5 2 88.21 3.01 1.1077 6 2 4 2 88.33 2.35 1.1065 0 4 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.