Nitrocalcite Leclaire A, Monier J C Acta Crystallographica B33 (1977) 1861-1866 Liaisons hydrogene dans les cristaux de Ca(NO3)2*4H2Oalpha Locality: synthetic _database_code_amcsd 0009594 CELL PARAMETERS: 6.2786 9.1551 14.8999 90.000 106.220 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 822.374 Density (g/cm3): 1.907 MAX. ABS. INTENSITY / VOLUME**2: 2.972681114 RIR: 0.508 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.48 57.77 7.7114 0 1 1 4 12.37 7.87 7.1534 0 0 2 2 14.69 14.82 6.0287 1 0 0 2 15.72 13.51 5.6368 0 1 2 4 16.37 55.80 5.4151 -1 0 2 2 17.25 100.00 5.1398 -1 1 1 4 17.61 31.85 5.0351 1 1 0 4 19.04 1.10 4.6608 -1 1 2 4 19.39 4.49 4.5775 0 2 0 2 20.01 3.04 4.4365 1 1 1 4 20.37 49.26 4.3598 0 2 1 4 21.00 3.35 4.2295 0 1 3 4 21.77 2.54 4.0821 1 0 2 2 22.49 2.56 3.9533 -1 1 3 4 23.07 6.51 3.8557 0 2 2 4 24.15 8.81 3.6849 -1 2 1 4 24.42 11.10 3.6457 1 2 0 4 24.89 46.83 3.5767 0 0 4 2 26.23 1.27 3.3981 1 2 1 4 27.00 10.97 3.3022 -1 1 4 4 28.19 1.08 3.1658 -1 2 3 4 28.63 43.44 3.1182 1 1 3 4 28.75 15.82 3.1055 -2 0 2 2 29.31 4.24 3.0467 1 2 2 4 29.64 33.03 3.0143 2 0 0 2 29.94 17.02 2.9846 0 3 1 4 30.16 3.69 2.9628 -2 1 1 4 30.39 37.00 2.9409 -2 1 2 4 31.24 11.21 2.8631 2 1 0 4 31.75 7.92 2.8184 0 2 4 4 31.88 1.80 2.8069 0 3 2 4 31.90 54.77 2.8050 -2 1 3 4 31.96 3.36 2.8006 -1 2 4 4 32.48 1.04 2.7567 1 0 4 2 32.70 17.45 2.7389 -1 3 1 4 32.79 1.46 2.7311 0 1 5 4 32.90 7.98 2.7227 1 3 0 4 33.09 26.33 2.7076 -2 0 4 2 33.71 19.22 2.6586 -1 3 2 4 33.96 8.81 2.6396 1 1 4 4 34.55 13.62 2.5964 -2 1 4 4 34.71 10.37 2.5845 -2 2 1 4 34.91 1.70 2.5699 -2 2 2 4 35.40 1.96 2.5359 2 0 2 2 36.26 1.19 2.4777 -2 2 3 4 36.44 7.83 2.4653 -1 0 6 2 36.50 3.89 2.4619 -1 2 5 4 36.77 21.76 2.4442 1 3 2 4 37.05 3.64 2.4263 0 2 5 4 37.70 3.09 2.3862 2 2 1 4 37.73 5.74 2.3845 0 0 6 2 38.11 6.27 2.3613 -2 1 5 4 38.64 20.40 2.3304 -2 2 4 4 38.79 16.59 2.3215 0 3 4 4 38.96 7.59 2.3115 -1 3 4 4 39.03 24.90 2.3075 0 1 6 4 39.70 18.92 2.2706 1 1 5 4 39.89 11.84 2.2600 0 4 1 4 40.67 6.72 2.2182 2 2 2 4 41.19 13.11 2.1915 -2 0 6 2 41.42 7.32 2.1799 0 4 2 4 41.49 18.14 2.1766 -2 3 2 4 41.90 4.21 2.1559 -2 2 5 4 42.14 18.16 2.1445 2 3 0 4 42.24 2.05 2.1398 1 4 0 4 42.65 2.95 2.1198 -2 3 3 4 42.86 4.24 2.1098 -1 3 5 4 42.90 2.67 2.1082 -1 4 2 4 43.35 5.12 2.0873 0 3 5 4 43.37 3.84 2.0862 1 2 5 4 43.37 10.48 2.0862 1 4 1 4 43.92 13.73 2.0616 2 3 1 4 44.28 9.14 2.0456 1 3 4 4 44.38 5.61 2.0411 2 0 4 2 44.40 4.01 2.0402 -3 1 2 4 44.44 6.21 2.0386 2 2 3 4 44.60 8.77 2.0317 1 0 6 2 44.67 6.20 2.0288 -1 4 3 4 44.75 7.78 2.0253 -2 3 4 4 44.89 4.73 2.0193 -3 1 3 4 45.12 3.24 2.0096 3 0 0 2 45.16 8.51 2.0078 -3 0 4 2 45.47 2.66 1.9947 0 1 7 4 45.53 2.88 1.9922 2 1 4 4 45.74 1.13 1.9835 1 1 6 4 45.91 3.82 1.9767 -2 2 6 4 46.57 4.88 1.9504 2 3 2 4 47.14 1.73 1.9278 0 4 4 4 47.16 8.97 1.9270 -1 2 7 4 47.29 2.70 1.9220 -2 1 7 4 47.41 8.54 1.9177 -1 3 6 4 47.67 4.14 1.9076 -2 3 5 4 48.24 6.24 1.8864 -3 2 3 4 48.45 1.18 1.8789 0 3 6 4 48.50 1.98 1.8769 3 1 1 4 48.91 2.49 1.8622 -1 0 8 2 49.06 1.77 1.8570 1 2 6 4 49.47 1.87 1.8424 -2 4 2 4 49.54 4.81 1.8401 3 2 0 4 49.58 2.81 1.8387 -3 2 4 4 50.23 1.94 1.8162 0 5 1 4 50.53 1.33 1.8063 -2 2 7 4 50.57 2.36 1.8050 -3 0 6 2 50.74 3.86 1.7993 2 1 5 4 51.10 4.01 1.7873 0 4 5 4 51.68 2.47 1.7687 3 2 1 4 51.74 1.45 1.7668 -3 2 5 4 51.93 1.65 1.7609 1 4 4 4 52.07 1.54 1.7563 -1 5 1 4 53.06 1.04 1.7260 -3 3 2 4 54.00 1.08 1.6982 0 3 7 4 54.05 4.21 1.6966 2 3 4 4 56.49 1.92 1.6289 -1 1 9 4 56.75 1.39 1.6222 -3 3 5 4 57.06 1.75 1.6142 2 4 3 4 58.02 3.30 1.5896 -1 3 8 4 58.29 1.43 1.5829 -2 4 6 4 58.75 1.33 1.5716 -3 0 8 2 59.00 1.23 1.5657 -4 0 2 2 59.27 1.75 1.5591 2 2 6 4 59.35 1.91 1.5571 -1 4 7 4 59.60 2.84 1.5513 -1 5 5 4 59.94 1.02 1.5433 -4 1 2 4 60.47 5.82 1.5309 -4 1 4 4 60.82 2.51 1.5230 -4 1 1 4 61.27 2.31 1.5129 -2 2 9 4 63.27 1.24 1.4699 3 4 1 4 64.07 3.34 1.4533 0 6 3 4 64.64 1.58 1.4419 -2 1 10 4 64.79 1.20 1.4390 4 1 1 4 65.16 1.66 1.4317 2 2 7 4 65.28 1.47 1.4293 1 6 2 4 66.10 2.07 1.4135 0 1 10 4 66.64 1.16 1.4035 0 6 4 4 66.93 3.97 1.3981 4 0 2 2 67.20 2.68 1.3930 -4 3 2 4 67.27 1.38 1.3918 -3 2 9 4 68.02 1.49 1.3783 2 0 8 2 68.52 1.58 1.3695 -2 6 2 4 69.35 1.22 1.3550 -2 6 3 4 70.07 1.31 1.3429 2 4 6 4 70.29 2.63 1.3392 -4 1 8 4 72.93 1.19 1.2970 3 4 4 4 73.03 1.10 1.2956 -3 4 8 4 74.08 1.07 1.2798 1 5 7 4 78.91 1.05 1.2132 0 4 10 4 82.47 1.26 1.1695 -4 5 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.