Cr(HP2O7)(NH3)3(H2O).2H2O Haromy T P, Linck C F, Cleland W W, Sundaralingam M Acta Crystallographica C46 (1990) 951-957 Structures of the meridional and facial isomers of triamminechromium pyrophosphate dihydrate Sample: a) meridional monoaquatriammine(pyrophosphato)-chromiun(III) dihydrate _database_code_amcsd 0010133 CELL PARAMETERS: 7.8250 10.1070 15.3220 90.000 103.920 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1176.188 Density (g/cm3): 1.946 MAX. ABS. INTENSITY / VOLUME**2: 4.452582733 RIR: 0.745 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.58 3.99 8.3593 0 1 1 4 11.65 100.00 7.5952 1 0 0 2 11.90 73.81 7.4360 0 0 2 2 14.53 4.65 6.0970 -1 0 2 2 14.59 7.75 6.0718 1 1 0 4 14.66 26.98 6.0428 -1 1 1 4 14.79 97.91 5.9896 0 1 2 4 16.80 1.56 5.2774 1 1 1 4 16.98 54.32 5.2206 -1 1 2 4 17.55 23.89 5.0535 0 2 0 2 18.54 6.32 4.7848 0 2 1 4 18.60 12.56 4.7706 1 0 2 2 19.95 14.02 4.4508 0 1 3 4 20.59 9.48 4.3142 1 1 2 4 21.12 2.67 4.2073 1 2 0 4 21.17 46.16 4.1976 -1 2 1 4 21.26 60.22 4.1797 0 2 2 4 22.72 42.85 3.9141 1 2 1 4 23.43 37.57 3.7976 2 0 0 2 23.60 8.32 3.7692 -2 0 2 2 23.93 6.70 3.7180 0 0 4 2 23.98 19.45 3.7104 -1 0 4 2 24.40 15.52 3.6483 -2 1 1 4 25.16 18.20 3.5389 0 2 3 4 25.28 10.29 3.5225 1 1 3 4 25.53 5.58 3.4894 0 1 4 4 25.57 11.44 3.4831 -1 1 4 4 25.68 21.42 3.4690 1 2 2 4 25.88 1.76 3.4420 -1 2 3 4 27.07 22.64 3.2939 2 1 1 4 27.38 2.06 3.2571 -2 1 3 4 28.86 2.18 3.0940 2 0 2 2 28.86 6.76 3.0934 -2 2 1 4 29.03 3.52 3.0758 -1 3 1 4 29.10 9.05 3.0687 0 3 2 4 29.30 47.07 3.0485 -2 0 4 2 29.42 3.21 3.0359 2 2 0 4 29.57 7.20 3.0214 -2 2 2 4 29.62 12.87 3.0156 1 2 3 4 29.83 5.44 2.9948 0 2 4 4 29.87 2.01 2.9908 -1 2 4 4 30.20 7.46 2.9589 1 3 1 4 30.21 2.21 2.9585 2 1 2 4 30.31 13.75 2.9488 -1 3 2 4 30.51 4.20 2.9298 1 1 4 4 30.63 9.22 2.9186 -2 1 4 4 31.18 8.16 2.8684 2 2 1 4 31.46 6.08 2.8440 -2 2 3 4 32.54 5.23 2.7520 1 3 2 4 34.19 1.79 2.6227 2 1 3 4 34.25 5.53 2.6183 1 2 4 4 34.53 6.34 2.5974 -1 2 5 4 34.57 1.16 2.5946 -3 0 2 2 35.00 2.70 2.5634 0 2 5 4 35.53 2.71 2.5268 0 4 0 2 35.62 5.21 2.5202 2 3 0 4 35.64 3.07 2.5194 -3 1 1 4 35.73 5.14 2.5131 -3 1 2 4 35.79 20.62 2.5086 1 3 3 4 35.97 1.46 2.4965 0 3 4 4 36.09 6.22 2.4887 1 1 5 4 36.24 9.86 2.4787 0 0 6 2 36.59 5.12 2.4559 3 1 0 4 36.86 1.92 2.4386 -3 1 3 4 37.12 1.37 2.4219 2 3 1 4 37.35 2.69 2.4073 0 1 6 4 37.36 1.32 2.4072 -2 3 3 4 37.51 1.50 2.3976 1 4 0 4 37.60 8.60 2.3924 0 4 2 4 37.60 6.01 2.3922 2 2 3 4 37.71 1.07 2.3853 2 0 4 2 37.88 1.79 2.3753 -3 0 4 2 38.29 1.33 2.3506 -2 0 6 2 38.48 2.27 2.3392 1 4 1 4 38.52 2.67 2.3370 3 1 1 4 38.95 3.36 2.3123 -3 1 4 4 39.02 5.86 2.3082 -3 2 2 4 39.35 5.66 2.2895 -2 1 6 4 39.36 1.90 2.2892 1 2 5 4 39.55 1.19 2.2788 2 3 2 4 39.79 9.23 2.2656 1 3 4 4 39.82 1.31 2.2636 3 2 0 4 40.04 4.72 2.2520 -1 3 5 4 40.05 1.12 2.2512 0 4 3 4 40.07 6.85 2.2500 -3 2 3 4 40.93 1.53 2.2051 1 0 6 2 41.88 1.01 2.1571 2 2 4 4 41.88 2.95 2.1569 -3 1 5 4 41.93 6.85 2.1544 1 1 6 4 42.59 3.52 2.1225 -2 4 1 4 42.77 3.81 2.1143 2 3 3 4 43.00 1.58 2.1037 2 4 0 4 43.10 1.51 2.0988 -2 4 2 4 44.05 2.20 2.0557 -3 3 2 4 44.28 7.63 2.0455 2 4 1 4 44.58 4.25 2.0323 -3 0 6 2 44.64 3.51 2.0301 -1 3 6 4 44.80 2.59 2.0232 -3 2 5 4 45.17 2.12 2.0072 -1 2 7 4 45.27 2.69 2.0030 0 5 1 4 45.43 3.61 1.9965 0 3 6 4 45.53 6.41 1.9924 -3 1 6 4 46.43 2.26 1.9558 3 3 1 4 46.56 1.82 1.9506 0 5 2 4 46.80 3.52 1.9413 -3 3 4 4 47.15 1.26 1.9277 -2 3 6 4 47.20 3.09 1.9257 0 4 5 4 47.27 1.46 1.9231 -2 2 7 4 47.31 3.89 1.9215 1 5 1 4 47.38 1.55 1.9187 -1 5 2 4 47.62 1.02 1.9097 3 2 3 4 48.10 2.48 1.8916 3 0 4 2 48.27 1.37 1.8856 -3 2 6 4 48.29 5.48 1.8846 -4 0 4 2 48.37 1.93 1.8817 -1 1 8 4 48.86 1.31 1.8642 3 3 2 4 49.06 2.64 1.8570 -1 5 3 4 49.26 3.39 1.8499 2 4 3 4 49.33 4.75 1.8474 2 1 6 4 49.35 1.15 1.8466 -3 3 5 4 49.40 1.12 1.8450 1 3 6 4 49.70 1.10 1.8344 -1 3 7 4 50.31 2.10 1.8137 -4 2 1 4 50.49 3.21 1.8075 -4 2 3 4 50.69 7.68 1.8010 1 4 5 4 50.81 2.41 1.7971 0 3 7 4 51.11 3.39 1.7872 2 3 5 4 51.32 2.73 1.7802 1 5 3 4 53.26 1.14 1.7199 4 2 1 4 53.69 1.15 1.7071 -3 0 8 2 53.79 1.35 1.7041 -4 2 5 4 54.20 1.60 1.6923 2 5 2 4 54.32 1.79 1.6890 1 1 8 4 54.59 1.22 1.6812 -1 5 5 4 54.85 1.61 1.6738 0 6 1 4 55.16 2.32 1.6650 -1 3 8 4 55.73 2.17 1.6494 3 3 4 4 55.93 1.57 1.6440 -1 6 1 4 56.10 2.31 1.6394 3 2 5 4 56.64 1.81 1.6251 -2 3 8 4 56.77 4.27 1.6215 2 5 3 4 57.10 1.26 1.6129 -1 2 9 4 57.11 1.15 1.6127 -2 5 5 4 57.32 2.38 1.6074 4 3 1 4 57.39 1.04 1.6057 -2 4 7 4 57.51 1.15 1.6025 -4 1 7 4 58.07 1.07 1.5883 1 5 5 4 58.18 2.75 1.5858 -1 6 3 4 59.99 2.27 1.5421 -5 0 4 2 60.03 1.39 1.5411 3 3 5 4 60.06 4.92 1.5403 -4 4 1 4 60.23 2.78 1.5365 -4 4 3 4 60.64 1.88 1.5270 1 3 8 4 61.25 2.07 1.5133 -1 1 10 4 61.27 1.02 1.5129 -2 6 3 4 61.97 1.09 1.4974 0 4 8 4 62.05 3.76 1.4957 -2 3 9 4 62.13 1.94 1.4940 -5 2 2 4 62.72 1.22 1.4813 -5 2 1 4 63.20 1.16 1.4714 0 1 10 4 63.79 1.75 1.4591 2 5 5 4 64.26 1.25 1.4495 -2 5 7 4 64.32 1.30 1.4482 3 1 7 4 64.43 1.91 1.4462 -5 1 6 4 65.72 1.17 1.4209 -3 3 9 4 65.84 2.12 1.4185 1 7 0 4 66.08 1.08 1.4140 -3 6 1 4 66.20 1.03 1.4116 -1 4 9 4 68.49 1.71 1.3699 -3 5 7 4 69.67 1.59 1.3496 2 7 0 4 69.90 1.77 1.3458 4 1 6 4 74.56 1.52 1.2728 -1 0 12 2 76.99 1.47 1.2385 -3 5 9 4 77.34 2.83 1.2338 -3 7 4 4 80.54 1.35 1.1926 6 1 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.