Nitrocalcite Leclaire A, Monier J Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 271 (1970) 1555-1557 Structure cristalline du nitrate de calcium tetrahydrate _cod_database_code 1001743 _database_code_amcsd 0012286 CELL PARAMETERS: 6.2680 9.1160 14.8300 90.000 106.500 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 812.478 Density (g/cm3): 1.864 MAX. ABS. INTENSITY / VOLUME**2: 3.772433859 RIR: 0.659 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.53 44.66 7.6743 0 1 1 4 12.45 6.30 7.1096 0 0 2 2 14.74 13.39 6.0099 1 0 0 2 15.81 19.26 5.6062 0 1 2 4 16.39 50.68 5.4093 -1 0 2 2 17.29 100.00 5.1286 -1 1 1 4 17.68 28.69 5.0176 1 1 0 4 19.48 4.09 4.5580 0 2 0 2 20.11 2.56 4.4146 1 1 1 4 20.46 45.55 4.3405 0 2 1 4 21.13 2.56 4.2053 0 1 3 4 21.91 1.19 4.0567 1 0 2 2 22.54 2.79 3.9439 -1 1 3 4 23.18 4.08 3.8372 0 2 2 4 24.23 8.93 3.6731 -1 2 1 4 24.51 10.10 3.6317 1 2 0 4 25.05 37.24 3.5548 0 0 4 2 27.09 9.43 3.2921 -1 1 4 4 28.78 15.28 3.1017 -2 0 2 2 28.82 33.21 3.0983 1 1 3 4 29.48 2.86 3.0303 1 2 2 4 29.73 26.80 3.0049 2 0 0 2 30.07 12.82 2.9716 0 3 1 4 30.23 3.50 2.9562 -2 1 1 4 30.44 32.21 2.9364 -2 1 2 4 31.34 8.49 2.8539 2 1 0 4 31.93 6.65 2.8031 0 2 4 4 31.95 43.56 2.8015 -2 1 3 4 32.03 1.35 2.7942 0 3 2 4 32.07 2.76 2.7911 -1 2 4 4 32.71 1.24 2.7378 1 0 4 2 32.82 14.92 2.7289 -1 3 1 4 32.99 1.07 2.7148 0 1 5 4 33.03 6.65 2.7118 1 3 0 4 33.12 23.74 2.7046 -2 0 4 2 33.83 15.50 2.6493 -1 3 2 4 34.20 7.56 2.6221 1 1 4 4 34.59 12.98 2.5929 -2 1 4 4 34.81 7.16 2.5774 -2 2 1 4 34.99 1.70 2.5643 -2 2 2 4 35.59 1.84 2.5228 2 0 2 2 36.33 1.45 2.4730 -2 2 3 4 36.60 6.30 2.4555 -1 0 6 2 36.64 3.50 2.4527 -1 2 5 4 36.96 18.85 2.4321 1 3 2 4 37.27 2.70 2.4128 0 2 5 4 37.86 2.59 2.3761 2 2 1 4 37.97 5.07 2.3699 0 0 6 2 38.18 4.59 2.3573 -2 1 5 4 38.71 19.10 2.3260 -2 2 4 4 38.99 15.32 2.3098 0 3 4 4 39.11 6.09 2.3031 -1 3 4 4 39.28 22.23 2.2936 0 1 6 4 39.98 16.27 2.2553 1 1 5 4 40.07 10.31 2.2503 0 4 1 4 40.88 6.22 2.2073 2 2 2 4 41.28 11.37 2.1872 -2 0 6 2 41.61 16.87 2.1706 -2 3 2 4 41.61 7.36 2.1702 0 4 2 4 42.00 3.66 2.1514 -2 2 5 4 42.30 16.53 2.1366 2 3 0 4 42.42 1.68 2.1309 1 4 0 4 42.77 2.42 2.1144 -2 3 3 4 43.04 4.01 2.1017 -1 3 5 4 43.07 2.12 2.1002 -1 4 2 4 43.58 9.46 2.0770 1 4 1 4 43.59 5.43 2.0764 0 3 5 4 43.66 3.00 2.0730 1 2 5 4 44.11 13.94 2.0529 2 3 1 4 44.49 3.93 2.0365 -3 1 2 4 44.55 7.89 2.0340 1 3 4 4 44.68 4.79 2.0284 2 0 4 2 44.70 4.85 2.0275 2 2 3 4 44.84 5.32 2.0212 -1 4 3 4 44.86 6.65 2.0203 -2 3 4 4 44.92 8.32 2.0178 1 0 6 2 44.95 4.01 2.0166 -3 1 3 4 45.21 7.31 2.0058 -3 0 4 2 45.27 2.88 2.0033 3 0 0 2 45.76 2.26 1.9827 0 1 7 4 45.83 2.32 1.9799 2 1 4 4 46.03 3.41 1.9719 -2 2 6 4 46.07 1.22 1.9701 1 1 6 4 46.80 4.52 1.9410 2 3 2 4 47.38 7.92 1.9187 -1 2 7 4 47.38 1.56 1.9186 0 4 4 4 47.42 2.38 1.9172 -2 1 7 4 47.61 7.67 1.9099 -1 3 6 4 47.80 4.53 1.9027 -2 3 5 4 48.33 5.80 1.8831 -3 2 3 4 48.71 1.95 1.8696 3 1 1 4 49.15 2.48 1.8536 -1 0 8 2 49.40 1.67 1.8450 1 2 6 4 49.64 1.78 1.8366 -2 4 2 4 49.66 2.86 1.8359 -3 2 4 4 49.71 4.42 1.8340 3 2 0 4 50.47 1.80 1.8084 0 5 1 4 50.62 2.02 1.8031 -3 0 6 2 50.68 1.38 1.8014 -2 2 7 4 51.09 3.34 1.7877 2 1 5 4 51.38 3.77 1.7784 0 4 5 4 51.82 1.27 1.7643 -3 2 5 4 51.90 2.00 1.7617 3 2 1 4 52.22 1.78 1.7516 1 4 4 4 52.30 1.34 1.7492 -1 5 1 4 54.32 1.24 1.6887 0 3 7 4 54.38 4.16 1.6870 2 3 4 4 55.81 1.23 1.6472 2 0 6 2 56.79 1.81 1.6211 -1 1 9 4 56.86 1.76 1.6192 -3 3 5 4 57.37 1.42 1.6061 2 4 3 4 58.31 3.16 1.5824 -1 3 8 4 58.49 1.54 1.5780 -2 4 6 4 58.86 1.07 1.5691 -3 0 8 2 59.13 1.21 1.5625 -4 0 2 2 59.64 1.76 1.5504 -1 4 7 4 59.69 1.89 1.5491 2 2 6 4 59.86 2.88 1.5450 -1 5 5 4 60.08 1.17 1.5401 -4 1 2 4 60.56 6.49 1.5289 -4 1 4 4 61.00 2.36 1.5190 -4 1 1 4 61.50 2.51 1.5078 -2 2 9 4 63.55 1.25 1.4640 3 4 1 4 63.56 1.15 1.4638 -1 5 6 4 64.39 4.51 1.4468 0 6 3 4 64.90 2.27 1.4368 -2 1 10 4 65.06 1.21 1.4336 4 1 1 4 65.62 1.43 1.4228 1 6 2 4 65.64 1.64 1.4224 2 2 7 4 66.56 2.26 1.4049 0 1 10 4 66.98 1.00 1.3971 0 6 4 4 67.14 1.11 1.3942 -3 3 8 4 67.25 4.38 1.3922 4 0 2 2 67.39 2.91 1.3896 -4 3 2 4 67.43 1.38 1.3888 -3 2 9 4 68.55 1.63 1.3689 2 0 8 2 68.81 1.61 1.3644 -2 6 2 4 69.64 1.62 1.3501 -2 6 3 4 70.38 3.65 1.3377 -4 1 8 4 70.55 1.49 1.3350 2 4 6 4 72.98 1.20 1.2964 3 2 6 4 73.24 1.22 1.2924 -3 4 8 4 73.35 1.09 1.2907 -4 4 3 4 73.38 1.31 1.2903 3 4 4 4 74.56 1.03 1.2727 1 7 0 4 74.57 1.12 1.2727 1 5 7 4 79.44 1.40 1.2064 0 4 10 4 82.71 1.65 1.1668 -4 5 5 4 89.47 1.01 1.0953 3 3 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.