Ca(NO3)2(H2O)1.235 Leclaire A Acta Crystallographica B32 (1976) 1950-1953 Structure cristalline d'un nouvel hydrate du nitrate de calcium Ca(NO3)2(H2O)1.235 _cod_database_code 1001003 _database_code_amcsd 0009567 CELL PARAMETERS: 13.2260 13.2260 32.3700 90.000 90.000 120.000 SPACE GROUP: P6_3/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 4903.773 Density (g/cm3): 2.116 MAX. ABS. INTENSITY / VOLUME**2: 6.428114403 RIR: 0.989 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.46 6.65 16.1850 0 0 2 2 7.72 2.69 11.4541 1 0 0 6 8.19 100.00 10.7980 1 0 1 12 9.46 18.78 9.3496 1 0 2 12 10.93 19.26 8.0925 0 0 4 2 13.39 1.14 6.6130 1 1 0 6 13.40 1.17 6.6093 1 0 4 12 14.47 1.24 6.1217 1 1 2 12 15.72 9.03 5.6383 1 1 3 12 16.43 35.65 5.3950 0 0 6 2 17.32 10.07 5.1207 1 1 4 12 18.18 4.36 4.8807 1 0 6 12 18.98 2.53 4.6748 2 0 4 12 19.19 11.76 4.6262 1 1 5 12 20.52 15.07 4.3292 1 2 0 6 20.70 15.40 4.2910 2 1 1 12 20.71 4.72 4.2895 2 0 5 12 21.24 4.06 4.1822 1 2 2 12 21.24 6.04 4.1822 2 1 2 12 21.25 3.26 4.1803 1 1 6 12 21.97 1.16 4.0462 0 0 8 2 22.12 2.34 4.0179 1 2 3 12 22.12 5.12 4.0179 2 1 3 12 22.64 5.48 3.9270 2 0 6 12 23.30 3.63 3.8180 3 0 0 6 23.32 5.12 3.8152 1 0 8 12 23.46 13.16 3.7917 3 0 1 12 23.47 3.55 3.7897 1 1 7 12 23.95 4.41 3.7160 3 0 2 12 24.74 8.99 3.5993 3 0 3 12 24.75 26.81 3.5978 2 0 7 12 25.80 4.63 3.4530 3 0 4 12 25.97 2.41 3.4315 1 0 9 12 26.40 2.31 3.3765 1 2 6 12 26.40 6.39 3.3765 2 1 6 12 26.98 4.55 3.3047 2 0 8 12 27.11 8.67 3.2894 2 2 1 12 27.11 3.46 3.2887 3 0 5 12 28.09 10.68 3.1768 1 3 0 6 28.09 2.12 3.1768 3 1 0 6 28.24 4.00 3.1604 1 2 7 12 28.24 1.41 3.1604 2 1 7 12 28.64 1.16 3.1173 1 3 2 12 28.64 2.38 3.1173 3 1 2 12 28.64 12.64 3.1165 3 0 6 12 28.66 1.32 3.1150 1 0 10 12 29.18 2.90 3.0609 2 2 4 12 29.31 2.64 3.0474 1 3 3 12 30.22 1.84 2.9571 1 3 4 12 30.23 2.36 2.9561 1 2 8 12 30.35 8.25 2.9447 2 2 5 12 30.36 7.20 2.9442 3 0 7 12 31.39 5.70 2.8502 1 0 11 12 31.74 1.67 2.8192 2 2 6 12 32.35 6.98 2.7677 4 0 3 12 32.36 2.04 2.7665 2 1 9 12 33.21 1.26 2.6975 0 0 12 2 33.31 5.28 2.6897 2 2 7 12 34.12 2.11 2.6277 3 2 0 6 34.15 3.37 2.6257 1 0 12 12 34.25 2.82 2.6184 1 3 7 12 34.25 1.30 2.6184 3 1 7 12 34.58 2.44 2.5938 3 2 2 12 34.60 3.61 2.5924 1 2 10 12 34.60 7.63 2.5924 2 1 10 12 35.05 1.71 2.5604 2 2 8 12 35.15 3.02 2.5531 2 3 3 12 35.93 6.06 2.4995 1 4 0 6 35.93 3.78 2.4995 4 1 0 6 35.93 4.30 2.4993 2 3 4 12 35.94 4.29 2.4987 3 1 8 12 36.04 1.65 2.4921 1 4 1 12 36.37 2.82 2.4702 1 4 2 12 36.39 2.22 2.4690 3 0 10 12 36.91 2.38 2.4350 1 4 3 12 36.92 4.88 2.4348 3 2 5 12 36.92 3.35 2.4345 4 0 7 12 36.93 3.49 2.4337 2 1 11 12 36.94 1.03 2.4332 1 0 13 12 37.67 1.17 2.3882 4 1 4 12 37.78 4.72 2.3810 3 1 9 12 38.09 2.68 2.3624 2 3 6 12 38.52 1.43 2.3374 4 0 8 12 38.61 1.03 2.3317 1 4 5 12 38.61 3.73 2.3317 4 1 5 12 38.64 2.86 2.3303 1 1 13 12 38.95 5.89 2.3121 0 0 14 2 39.44 12.70 2.2846 2 3 7 12 39.74 2.45 2.2682 5 0 2 12 39.74 1.93 2.2679 1 4 6 12 39.74 4.68 2.2679 4 1 6 12 40.94 1.40 2.2043 3 3 0 6 40.95 1.60 2.2038 3 2 8 12 41.37 4.09 2.1826 1 1 14 12 41.73 4.55 2.1646 2 4 0 6 41.73 4.43 2.1646 4 2 0 6 41.83 7.70 2.1598 2 4 1 12 41.83 6.46 2.1597 3 3 3 12 41.83 3.68 2.1596 5 0 5 12 41.84 3.19 2.1588 3 1 11 12 41.85 13.98 2.1584 1 2 13 12 41.85 6.61 2.1584 2 1 13 12 42.12 3.66 2.1455 2 4 2 12 42.12 3.79 2.1455 4 2 2 12 42.13 6.46 2.1448 4 0 10 12 42.15 1.09 2.1440 2 0 14 12 42.50 2.15 2.1268 3 3 4 12 42.51 8.36 2.1265 1 4 8 12 42.60 1.15 2.1223 4 2 3 12 42.61 4.05 2.1218 2 3 9 12 42.63 4.48 2.1207 1 0 15 12 43.29 3.18 2.0902 2 2 12 12 43.36 6.49 2.0867 3 3 5 12 43.39 1.57 2.0857 3 0 13 12 44.02 2.43 2.0572 1 5 0 6 44.02 2.12 2.0572 5 1 0 6 44.04 4.14 2.0562 3 1 12 12 44.11 2.16 2.0529 4 2 5 12 44.12 1.07 2.0527 5 0 7 12 44.12 2.43 2.0525 4 1 9 12 44.14 1.60 2.0515 1 1 15 12 44.39 1.82 2.0406 3 3 6 12 44.40 1.96 2.0401 2 3 10 12 44.40 1.53 2.0401 3 2 10 12 44.42 4.87 2.0395 1 2 14 12 44.42 4.69 2.0395 2 1 14 12 44.85 1.43 2.0208 1 5 3 12 45.13 9.82 2.0089 4 2 6 12 45.49 4.82 1.9938 5 1 4 12 45.50 4.53 1.9935 5 0 8 12 47.72 1.25 1.9057 6 0 1 12 48.33 1.18 1.8830 4 3 0 6 48.43 2.32 1.8794 3 3 9 12 48.45 1.03 1.8790 4 0 13 12 48.71 2.15 1.8694 1 3 14 12 49.03 1.42 1.8580 6 0 4 12 49.11 1.23 1.8550 4 3 3 12 49.71 1.35 1.8340 3 4 4 12 49.79 1.48 1.8312 5 2 1 12 50.49 1.40 1.8074 3 2 13 12 50.50 1.41 1.8072 2 2 15 12 51.06 1.48 1.7887 2 5 4 12 52.47 1.01 1.7440 3 4 7 12 58.19 1.82 1.5853 1 2 19 12 59.97 1.23 1.5426 6 2 5 12 63.54 1.05 1.4641 4 0 19 12 63.76 1.11 1.4598 1 4 18 12 70.32 1.32 1.3388 4 2 19 12 76.26 1.10 1.2485 6 3 13 12 78.06 1.90 1.2242 3 6 14 12 81.55 1.18 1.1804 1 8 13 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.