Ca Cl H4 N O5 Leclaire A, Borel M Acta Crystallographica B34 (1978) 902-904 Identification et structure du chlorure nitrate de calcium dihydrate _cod_database_code 1001019 _database_code_amcsd 0009627 CELL PARAMETERS: 9.0520 6.6760 19.7970 90.000 90.000 90.000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 Cell Volume: 1196.356 Density (g/cm3): 1.927 MAX. ABS. INTENSITY / VOLUME**2: 6.131758281 RIR: 1.036 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.93 100.00 9.8985 0 0 2 2 13.25 13.59 6.6800 1 0 2 4 17.10 31.39 5.1853 1 1 1 8 17.92 5.02 4.9493 0 0 4 2 19.61 14.82 4.5260 2 0 0 2 20.45 10.14 4.3425 1 0 4 4 21.33 50.92 4.1665 1 1 3 8 23.75 18.89 3.7462 2 1 0 4 24.45 33.98 3.6402 1 1 4 8 25.42 2.69 3.5037 2 1 2 8 26.69 23.77 3.3400 2 0 4 4 27.02 16.66 3.2995 0 0 6 2 27.38 42.43 3.2579 2 1 3 8 27.99 2.32 3.1874 1 1 5 8 28.21 17.97 3.1630 0 2 2 4 28.80 3.62 3.1000 1 0 6 4 28.86 3.69 3.0934 1 2 1 8 29.91 2.97 2.9870 2 1 4 8 29.92 11.83 2.9860 1 2 2 8 30.00 29.23 2.9786 0 2 3 4 30.98 2.84 2.8862 3 0 2 4 31.62 7.85 2.8294 1 2 3 8 32.35 1.24 2.7674 0 2 4 4 32.91 14.69 2.7212 2 1 5 8 33.35 5.86 2.6864 2 2 0 4 33.61 1.26 2.6662 2 0 6 4 33.67 3.61 2.6620 2 2 1 8 33.84 15.63 2.6492 3 1 2 8 33.87 8.38 2.6465 1 2 4 8 34.82 23.46 2.5763 3 0 4 4 35.16 1.32 2.5521 0 2 5 4 35.37 8.99 2.5380 3 1 3 8 35.88 14.44 2.5026 1 1 7 8 36.58 5.53 2.4563 1 2 5 8 37.42 8.34 2.4035 3 1 4 8 37.68 12.84 2.3870 1 0 8 4 38.12 6.39 2.3610 2 2 4 8 38.36 23.33 2.3466 0 2 6 4 39.68 3.49 2.2715 1 2 6 8 39.83 2.28 2.2630 4 0 0 2 39.94 5.31 2.2572 2 1 7 8 40.12 4.02 2.2477 1 1 8 8 40.58 16.05 2.2230 2 2 5 8 41.35 30.61 2.1833 3 2 2 8 41.59 1.88 2.1713 2 0 8 4 41.87 2.58 2.1578 0 2 7 4 42.06 5.47 2.1482 1 3 1 8 42.16 2.48 2.1432 4 1 0 4 42.42 18.69 2.1308 4 1 1 8 42.65 9.55 2.1198 3 2 3 8 42.81 1.35 2.1123 3 1 6 8 42.83 16.15 2.1113 1 3 2 8 43.44 35.24 2.0832 2 2 6 8 44.10 5.21 2.0537 1 3 3 8 44.51 5.98 2.0357 1 1 9 8 45.42 3.55 1.9970 2 3 0 4 45.84 1.72 1.9797 0 0 10 2 46.04 5.59 1.9714 3 1 7 8 46.61 1.85 1.9486 3 2 5 8 46.63 2.11 1.9478 2 2 7 8 47.52 6.14 1.9134 3 0 8 4 48.29 6.36 1.8848 4 1 5 8 49.04 3.13 1.8576 1 1 10 8 49.56 4.42 1.8394 3 1 8 8 50.31 1.01 1.8138 2 0 10 4 50.72 1.80 1.8000 1 2 9 8 50.80 1.84 1.7973 4 1 6 8 51.23 1.70 1.7830 2 3 5 8 51.88 2.51 1.7623 3 3 2 8 52.11 2.36 1.7552 3 2 7 8 52.26 2.36 1.7503 2 1 10 8 53.71 1.08 1.7065 1 1 11 8 53.84 4.96 1.7028 0 2 10 4 53.93 5.45 1.7002 5 0 4 4 54.86 1.26 1.6734 1 2 10 8 55.23 3.27 1.6631 0 4 1 4 55.52 2.40 1.6552 3 0 10 4 55.72 3.91 1.6498 0 0 12 2 56.75 1.28 1.6222 2 1 11 8 56.86 2.66 1.6192 1 4 2 8 57.35 1.12 1.6066 3 1 10 8 57.86 1.57 1.5937 2 2 10 8 58.34 1.29 1.5816 4 3 1 8 58.35 1.54 1.5815 0 4 4 4 58.65 2.10 1.5740 3 3 6 8 58.77 5.61 1.5712 5 2 2 8 58.95 1.67 1.5667 4 3 2 8 58.98 2.51 1.5659 2 4 0 4 59.65 4.49 1.5500 2 0 12 4 62.18 1.20 1.4930 2 4 4 8 62.65 1.07 1.4829 3 2 10 8 62.83 1.01 1.4790 0 2 12 4 63.19 4.81 1.4716 6 1 0 4 63.28 1.22 1.4696 1 4 6 8 63.50 1.34 1.4651 1 1 13 8 63.69 4.12 1.4611 5 0 8 4 63.76 1.41 1.4598 1 3 10 8 63.93 1.34 1.4562 2 4 5 8 64.36 1.96 1.4475 3 0 12 4 64.58 1.28 1.4431 6 0 4 4 64.92 1.74 1.4363 6 1 3 8 65.25 5.35 1.4299 4 3 6 8 65.45 1.15 1.4260 3 4 3 8 66.78 2.01 1.4008 3 4 4 8 70.01 1.42 1.3440 6 1 6 8 70.97 1.10 1.3281 3 3 10 8 71.27 1.15 1.3232 2 4 8 8 71.75 1.11 1.3155 1 4 9 8 72.02 1.97 1.3113 1 3 12 8 72.27 1.66 1.3073 4 1 12 8 73.61 1.68 1.2868 4 3 9 8 74.32 1.48 1.2762 1 5 4 8 74.36 2.48 1.2757 2 4 9 8 75.60 1.19 1.2578 3 4 8 8 76.53 1.31 1.2448 1 3 13 8 76.86 1.33 1.2403 5 2 10 8 78.02 1.21 1.2248 5 4 1 8 79.44 1.25 1.2064 5 4 3 8 79.49 1.21 1.2058 1 1 16 8 80.31 2.20 1.1955 3 2 14 8 81.31 1.37 1.1833 1 3 14 8 82.61 3.32 1.1679 6 3 6 8 82.84 1.34 1.1653 1 5 8 8 84.19 1.42 1.1500 4 5 0 4 85.17 1.07 1.1392 6 1 11 8 86.63 1.44 1.1238 4 1 15 8 89.18 1.48 1.0982 6 1 12 8 89.51 1.26 1.0950 3 5 8 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.