Ca(NO3)2(H2O)2 Leclaire A, Mitschler A, Monier J Acta Crystallographica B32 (1976) 1496-1499 Structure cristalline de l'hydrate Ca(NO3)2(H2O)2 alpha _cod_database_code 1001000 _database_code_amcsd 0009558 CELL PARAMETERS: 11.8270 16.5380 12.6220 90.000 90.000 90.000 SPACE GROUP: Ccca X-RAY WAVELENGTH: 1.541838 Cell Volume: 2468.799 Density (g/cm3): 2.153 MAX. ABS. INTENSITY / VOLUME**2: 4.043074319 RIR: 0.611 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.57 6.88 7.6512 1 1 1 8 14.03 61.41 6.3110 0 0 2 2 16.80 7.13 5.2769 1 1 2 8 18.45 53.92 4.8101 2 2 0 4 19.75 60.25 4.4947 2 2 1 8 20.58 1.11 4.3152 2 0 2 4 22.70 5.86 3.9174 1 3 2 8 23.07 1.18 3.8548 1 1 3 8 23.25 92.54 3.8256 2 2 2 8 24.26 18.42 3.6693 3 1 1 8 25.76 4.84 3.4584 0 4 2 4 27.21 15.18 3.2773 3 1 2 8 27.72 5.48 3.2183 1 3 3 8 28.18 41.60 3.1668 2 2 3 8 28.28 13.10 3.1555 0 0 4 2 28.72 19.71 3.1080 3 3 1 8 28.91 12.45 3.0885 1 5 1 8 29.80 2.48 2.9983 1 1 4 8 30.23 21.37 2.9567 4 0 0 2 31.29 40.94 2.8588 3 3 2 8 31.46 36.97 2.8437 1 5 2 8 31.57 5.91 2.8342 3 1 3 8 32.48 1.01 2.7563 0 6 0 2 33.98 46.38 2.6384 2 2 4 8 35.19 40.15 2.5504 3 3 3 8 35.34 13.60 2.5396 1 5 3 8 35.95 17.49 2.4983 2 6 0 4 36.16 7.67 2.4843 3 5 1 8 36.67 11.60 2.4507 2 6 1 8 36.89 3.98 2.4366 3 1 4 8 38.28 2.81 2.3514 3 5 2 8 38.77 21.31 2.3229 2 6 2 8 39.13 1.95 2.3023 5 1 1 8 40.02 5.35 2.2532 1 3 5 8 40.09 6.01 2.2492 3 3 4 8 40.12 100.00 2.2474 4 4 2 8 40.23 1.62 2.2418 1 5 4 8 40.35 2.57 2.2353 2 2 5 8 41.52 4.47 2.1749 1 7 2 8 41.61 4.88 2.1706 3 5 3 8 41.87 33.60 2.1576 4 0 4 4 42.06 6.63 2.1481 2 6 3 8 42.18 5.42 2.1422 5 3 1 8 42.89 1.40 2.1086 3 1 5 8 43.00 27.92 2.1037 0 0 6 2 43.79 22.93 2.0673 0 8 0 2 44.27 1.77 2.0460 5 1 3 8 44.65 12.90 2.0295 1 7 3 8 45.74 1.52 1.9835 3 3 5 8 46.21 7.21 1.9645 0 8 2 4 46.36 6.41 1.9587 2 6 4 8 46.86 2.40 1.9388 1 3 6 8 47.05 1.27 1.9312 5 3 3 8 47.15 10.38 1.9274 2 2 6 8 47.41 8.59 1.9174 6 2 0 4 47.54 51.82 1.9128 4 4 4 8 47.99 1.10 1.8957 6 2 1 8 48.56 4.10 1.8749 0 4 6 4 48.76 3.08 1.8675 1 7 4 8 49.53 3.24 1.8404 5 5 2 8 49.69 6.04 1.8346 6 2 2 8 50.80 1.33 1.7973 1 9 1 8 51.99 1.40 1.7590 3 3 6 8 52.10 1.06 1.7554 1 5 6 8 52.28 1.62 1.7497 5 5 3 8 52.44 2.69 1.7448 6 2 3 8 52.95 4.19 1.7292 0 8 4 4 54.13 1.59 1.6942 4 8 0 4 54.34 1.33 1.6884 2 2 7 8 54.66 1.10 1.6792 4 8 1 8 55.12 2.22 1.6661 7 1 1 8 55.45 2.50 1.6571 5 7 1 8 55.66 1.89 1.6512 3 9 1 8 56.13 1.12 1.6386 6 2 4 8 57.25 3.92 1.6092 2 6 6 8 57.52 1.78 1.6023 7 3 1 8 57.90 1.80 1.5927 2 10 0 4 58.50 3.96 1.5777 0 0 8 2 58.75 1.35 1.5717 3 3 7 8 58.85 1.34 1.5692 1 5 7 8 59.48 3.12 1.5540 6 6 2 8 59.90 2.93 1.5443 2 10 2 8 60.65 4.03 1.5269 6 2 5 8 61.89 2.76 1.4992 2 2 8 8 61.93 1.25 1.4982 6 6 3 8 62.86 8.15 1.4784 8 0 0 2 63.05 5.70 1.4745 0 8 6 4 63.07 6.32 1.4741 0 4 8 4 63.12 1.33 1.4729 3 9 4 8 63.30 1.66 1.4691 3 5 7 8 63.57 1.17 1.4636 7 5 2 8 63.64 1.31 1.4621 2 6 7 8 64.77 1.17 1.4394 8 0 2 4 65.28 5.78 1.4294 6 6 4 8 65.67 3.24 1.4218 2 10 4 8 65.78 1.07 1.4198 5 5 6 8 65.91 2.61 1.4171 6 2 6 8 65.93 2.75 1.4168 7 5 3 8 66.52 2.23 1.4057 1 11 3 8 66.87 2.79 1.3991 7 1 5 8 67.03 1.88 1.3961 3 11 1 8 67.16 1.24 1.3937 5 7 5 8 67.36 1.10 1.3902 3 9 5 8 68.42 1.23 1.3712 3 11 2 8 68.70 1.44 1.3662 7 7 1 8 69.44 1.65 1.3534 6 6 5 8 70.07 1.62 1.3428 7 7 2 8 70.61 3.28 1.3340 2 6 8 8 70.70 1.32 1.3325 3 11 3 8 71.50 3.08 1.3195 4 8 6 8 71.52 1.44 1.3192 4 4 8 8 73.79 1.39 1.2841 1 11 5 8 74.39 1.50 1.2752 6 6 6 8 74.76 2.00 1.2698 2 10 6 8 74.96 1.04 1.2669 6 10 0 4 75.27 3.85 1.2625 5 11 1 8 76.22 1.10 1.2491 4 12 0 4 76.59 1.12 1.2440 5 11 2 8 77.05 1.23 1.2377 7 9 1 8 77.85 1.13 1.2270 3 5 9 8 77.93 1.74 1.2259 5 7 7 8 77.97 3.46 1.2254 4 12 2 8 78.31 1.67 1.2209 2 2 10 8 78.51 1.98 1.2183 6 2 8 8 79.19 2.63 1.2096 8 0 6 4 79.54 1.22 1.2051 3 13 1 8 79.70 1.27 1.2032 5 1 9 8 79.75 2.11 1.2025 8 8 0 4 80.45 1.51 1.1937 2 10 7 8 81.48 1.41 1.1813 8 8 2 8 83.17 1.52 1.1614 4 12 4 8 83.22 1.01 1.1609 8 4 6 8 83.23 3.16 1.1609 4 0 10 4 86.36 1.16 1.1266 2 6 10 8 87.23 2.43 1.1176 4 4 10 8 87.42 1.44 1.1157 7 9 5 8 88.19 1.54 1.1079 9 7 3 8 89.23 1.11 1.0977 10 2 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.