KCu2(OH)(SeO4)2(H2O) Giester G, Zemann J Zeitschrift fur Kristallographie 179 (1987) 431-442 The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O [Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds Locality: synthetic _database_code_amcsd 0010971 CELL PARAMETERS: 9.1860 6.4230 7.8300 90.000 117.260 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 410.674 Density (g/cm3): 3.956 MAX. ABS. INTENSITY / VOLUME**2: 21.06482604 RIR: 1.734 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.72 44.06 6.9604 0 0 1 2 17.57 78.72 5.0484 1 1 0 4 18.56 19.67 4.7803 -1 1 1 4 19.53 6.95 4.5457 -2 0 1 2 24.54 22.78 3.6275 1 1 1 4 24.88 89.88 3.5787 -2 0 2 2 26.68 100.00 3.3414 -1 1 2 4 27.78 11.61 3.2115 0 2 0 2 30.02 78.59 2.9766 2 0 1 2 30.66 59.73 2.9161 0 2 1 4 32.47 56.93 2.7576 -3 1 1 4 34.15 23.32 2.6255 -3 1 2 4 34.18 69.88 2.6229 -2 2 1 4 34.63 10.64 2.5902 -2 0 3 2 35.22 23.58 2.5479 1 1 2 4 35.57 20.79 2.5242 2 2 0 4 37.63 12.52 2.3902 -2 2 2 4 38.13 17.11 2.3602 0 2 2 4 38.81 5.38 2.3201 0 0 3 2 39.93 6.87 2.2581 -4 0 1 2 41.07 16.02 2.1978 2 0 2 2 41.36 7.95 2.1831 2 2 1 4 43.22 1.26 2.0933 3 1 1 4 43.71 1.99 2.0710 1 3 0 4 44.15 2.06 2.0512 -1 3 1 4 44.37 4.08 2.0414 4 0 0 2 44.96 6.83 2.0161 -2 2 3 4 46.42 3.51 1.9562 -2 0 4 2 47.22 5.11 1.9248 1 3 1 4 47.54 14.77 1.9126 1 1 3 4 48.40 3.31 1.8807 0 2 3 4 48.47 9.71 1.8782 -1 3 2 4 49.11 6.19 1.8552 -4 2 2 4 49.60 2.92 1.8378 -3 1 4 4 50.31 5.35 1.8137 2 2 2 4 50.40 2.40 1.8106 -1 1 4 4 51.04 15.08 1.7893 -4 0 4 2 52.18 16.11 1.7530 -3 3 1 4 52.51 38.41 1.7427 -4 2 3 4 52.60 13.90 1.7401 0 0 4 2 53.16 11.57 1.7228 4 2 0 4 53.34 2.41 1.7175 -3 3 2 4 53.36 5.26 1.7170 -5 1 1 4 53.69 4.34 1.7070 -5 1 3 4 54.10 2.88 1.6953 1 3 2 4 54.96 20.89 1.6707 -2 2 4 4 57.38 20.79 1.6057 0 4 0 2 58.30 2.47 1.5828 5 1 0 4 59.04 1.28 1.5647 0 4 1 4 59.54 2.88 1.5526 -2 0 5 2 60.11 19.75 1.5393 4 2 1 4 60.12 1.76 1.5392 3 3 1 4 61.02 4.30 1.5186 -4 0 5 2 61.16 7.41 1.5152 -6 0 3 2 61.47 15.45 1.5086 2 2 3 4 62.39 7.48 1.4883 4 0 2 2 63.50 8.62 1.4650 -2 4 2 4 63.60 7.28 1.4629 1 3 3 4 64.17 1.51 1.4514 -1 1 5 4 64.82 1.63 1.4384 -6 0 4 2 65.32 5.53 1.4285 3 1 3 4 66.12 14.09 1.4132 2 4 1 4 66.98 5.62 1.3972 -5 1 5 4 67.49 1.50 1.3878 2 0 4 2 67.99 13.60 1.3788 -6 2 2 4 68.47 1.29 1.3704 -6 2 3 4 68.51 3.76 1.3696 -5 3 1 4 68.79 2.66 1.3648 -2 4 3 4 68.80 2.91 1.3645 -5 3 3 4 69.01 2.11 1.3610 6 0 0 2 70.52 5.81 1.3354 -6 2 1 4 71.45 2.39 1.3204 0 4 3 4 72.19 3.41 1.3086 -4 4 1 4 72.84 1.68 1.2985 5 3 0 4 72.97 3.18 1.2966 2 4 2 4 74.02 3.50 1.2807 -2 0 6 2 74.20 6.89 1.2781 -3 1 6 4 74.25 11.64 1.2772 0 2 5 4 74.47 1.02 1.2741 -7 1 2 4 74.82 1.96 1.2690 1 5 0 4 76.02 2.85 1.2519 -7 1 4 4 76.36 1.04 1.2472 5 1 2 4 78.15 1.10 1.2230 -1 3 5 4 78.21 4.12 1.2223 -6 2 5 4 78.34 4.42 1.2205 -1 5 2 4 79.15 2.07 1.2101 3 1 4 4 79.22 3.99 1.2092 3 3 3 4 79.86 2.85 1.2011 -4 2 6 4 80.34 5.15 1.1951 -4 4 4 4 80.76 3.55 1.1900 -5 3 5 4 81.09 1.30 1.1859 -7 1 5 4 81.25 2.40 1.1841 -3 5 1 4 81.58 5.13 1.1801 0 4 4 4 82.18 1.70 1.1730 -3 5 2 4 82.79 1.81 1.1658 1 5 2 4 82.89 1.93 1.1647 2 0 5 2 84.39 3.38 1.1478 7 1 0 4 87.17 1.95 1.1182 -6 2 6 4 87.37 1.71 1.1162 -2 4 5 4 87.60 3.02 1.1138 -3 3 6 4 88.65 2.64 1.1033 -4 4 5 4 89.86 4.74 1.0916 4 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.