Nitrocalcite Ribar B, Divjakovic V, Herak R, Prelesnik B Acta Crystallographica B29 (1973) 1546-1548 A new crystal structure study of Ca(NO3)2*(H2O) Locality: Synthetic _database_code_amcsd 0018699 CELL PARAMETERS: 6.2770 9.1570 14.4840 90.000 98.600 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 823.158 Density (g/cm3): 1.840 MAX. ABS. INTENSITY / VOLUME**2: 3.588610244 RIR: 0.635 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.47 47.22 7.7148 0 1 1 4 12.36 8.41 7.1606 0 0 2 2 14.68 13.92 6.0333 -1 0 1 2 15.71 18.24 5.6407 0 1 2 4 16.39 60.21 5.4073 1 0 1 2 17.26 100.00 5.1376 1 1 0 4 17.60 27.93 5.0381 -1 1 1 4 19.39 3.81 4.5785 0 2 0 2 19.98 2.89 4.4429 -1 1 2 4 20.36 47.62 4.3611 0 2 1 4 20.99 2.99 4.2330 0 1 3 4 21.72 1.57 4.0911 -1 0 3 2 22.51 2.75 3.9492 1 1 2 4 23.06 3.72 3.8574 0 2 2 4 24.16 9.28 3.6844 1 2 0 4 24.41 9.32 3.6472 -1 2 1 4 24.87 37.36 3.5803 0 0 4 2 27.02 9.48 3.2994 1 1 3 4 28.57 32.90 3.1244 -1 1 4 4 28.77 15.01 3.1032 2 0 0 2 29.28 2.75 3.0506 -1 2 3 4 29.61 24.74 3.0167 -2 0 2 2 29.93 11.58 2.9853 0 3 1 4 30.16 3.33 2.9628 -2 1 1 4 30.41 30.93 2.9390 2 1 0 4 31.22 7.59 2.8652 -2 1 2 4 31.73 5.60 2.8204 0 2 4 4 31.87 1.86 2.8079 0 3 2 4 31.94 42.46 2.8019 2 1 1 4 31.97 2.34 2.7990 1 2 3 4 32.41 1.11 2.7626 -1 0 5 2 32.69 13.94 2.7390 1 3 0 4 32.76 1.31 2.7336 0 1 5 4 32.88 6.97 2.7236 -1 3 1 4 33.13 20.65 2.7036 2 0 2 2 33.72 15.65 2.6581 1 3 1 4 33.89 8.25 2.6448 -1 1 5 4 34.59 10.94 2.5930 2 1 2 4 34.71 7.29 2.5846 -2 2 1 4 34.93 1.80 2.5688 2 2 0 4 35.33 1.44 2.5405 -2 0 4 2 36.29 1.32 2.4757 2 2 1 4 36.46 6.46 2.4642 1 0 5 2 36.51 3.20 2.4608 1 2 4 4 36.74 17.92 2.4464 -1 3 3 4 37.02 3.07 2.4282 0 2 5 4 37.65 2.35 2.3888 -2 2 3 4 37.69 4.38 2.3869 0 0 6 2 38.16 4.73 2.3581 2 1 3 4 38.68 16.86 2.3280 2 2 2 4 38.77 13.86 2.3228 0 3 4 4 38.98 5.69 2.3108 1 3 3 4 39.00 21.78 2.3097 0 1 6 4 39.62 15.63 2.2749 -1 1 6 4 39.88 9.80 2.2606 0 4 1 4 40.61 5.61 2.2214 -2 2 4 4 41.25 10.19 2.1886 2 0 4 2 41.41 6.62 2.1805 0 4 2 4 41.50 15.48 2.1761 2 3 0 4 41.95 3.47 2.1536 2 2 3 4 42.11 16.25 2.1456 -2 3 2 4 42.22 1.78 2.1404 -1 4 1 4 42.68 2.35 2.1187 2 3 1 4 42.88 3.68 2.1093 1 3 4 4 42.90 2.18 2.1081 1 4 1 4 43.30 3.34 2.0897 -1 2 6 4 43.32 4.37 2.0887 0 3 5 4 43.35 9.29 2.0872 -1 4 2 4 43.88 11.92 2.0634 -2 3 3 4 44.22 8.14 2.0482 -1 3 5 4 44.28 4.51 2.0455 -2 0 6 2 44.36 5.20 2.0421 -2 2 5 4 44.41 3.51 2.0397 -3 1 1 4 44.51 8.41 2.0356 -1 0 7 2 44.67 5.36 2.0286 1 4 2 4 44.78 7.14 2.0239 2 3 2 4 44.92 3.81 2.0179 3 1 0 4 45.08 2.66 2.0111 -3 0 3 2 45.21 7.54 2.0056 3 0 1 2 45.42 2.36 1.9967 0 1 7 4 45.43 2.58 1.9963 -2 1 6 4 45.65 1.15 1.9871 -1 1 7 4 45.96 3.42 1.9746 2 2 4 4 46.51 4.57 1.9527 -2 3 4 4 47.12 1.59 1.9287 0 4 4 4 47.17 7.94 1.9267 1 2 6 4 47.35 2.39 1.9198 2 1 5 4 47.42 7.99 1.9174 1 3 5 4 47.71 3.48 1.9061 2 3 3 4 48.27 5.40 1.8853 3 2 0 4 48.44 1.88 1.8791 -3 1 4 4 48.92 1.93 1.8620 1 0 7 2 48.97 1.68 1.8601 -1 2 7 4 49.48 1.69 1.8422 2 4 0 4 49.50 4.07 1.8413 -3 2 3 4 49.63 2.51 1.8370 3 2 1 4 50.22 1.66 1.8166 0 5 1 4 50.58 1.31 1.8045 2 2 5 4 50.62 3.46 1.8031 -2 1 7 4 50.64 2.27 1.8024 3 0 3 2 51.07 3.48 1.7883 0 4 5 4 51.62 2.03 1.7706 -3 2 4 4 51.80 1.46 1.7649 3 2 2 4 51.87 1.25 1.7627 -1 4 5 4 52.07 1.40 1.7565 1 5 0 4 53.07 1.11 1.7258 -3 3 1 4 53.96 3.79 1.6992 -2 3 6 4 56.49 1.92 1.6290 1 1 8 4 56.80 1.25 1.6208 3 3 2 4 56.98 1.49 1.6160 -2 4 5 4 58.02 2.79 1.5896 1 3 7 4 58.33 1.30 1.5820 2 4 4 4 58.84 1.27 1.5694 3 0 5 2 59.00 1.16 1.5656 -4 0 2 2 59.14 1.58 1.5622 -2 2 8 4 59.36 1.68 1.5570 1 4 6 4 59.60 2.70 1.5512 1 5 4 4 60.52 5.15 1.5298 4 1 0 4 60.80 2.32 1.5236 -4 1 3 4 61.32 2.21 1.5117 2 2 7 4 63.21 1.18 1.4711 -3 4 4 4 64.05 3.25 1.4537 0 6 3 4 64.69 1.56 1.4409 2 1 8 4 64.71 1.09 1.4405 -4 1 5 4 65.01 1.57 1.4346 -2 2 9 4 65.25 1.46 1.4299 -1 6 3 4 66.03 1.88 1.4149 0 1 10 4 66.61 1.13 1.4039 0 6 4 4 66.82 3.69 1.4001 -4 0 6 2 67.20 2.41 1.3931 -4 3 2 4 67.36 1.26 1.3902 3 2 6 4 67.85 1.35 1.3813 -2 0 10 2 68.52 1.53 1.3695 2 6 0 4 69.36 1.11 1.3548 2 6 1 4 69.95 1.28 1.3449 -2 4 8 4 70.40 2.48 1.3373 4 1 4 4 72.81 1.13 1.2989 -3 4 7 4 73.11 1.08 1.2944 3 4 5 4 73.99 1.06 1.2812 -1 5 8 4 82.53 1.29 1.1689 4 5 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.