NaCu2(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 0010972 CELL PARAMETERS: 9.0630 6.3030 7.6780 90.000 118.450 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 385.631 Density (g/cm3): 4.075 MAX. ABS. INTENSITY / VOLUME**2: 24.35905540 RIR: 1.947 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.11 37.10 6.7508 0 0 1 2 17.94 81.70 4.9435 1 1 0 4 18.86 8.33 4.7061 -1 1 1 4 19.76 2.56 4.4940 -2 0 1 2 22.31 4.04 3.9842 2 0 0 2 25.18 100.00 3.5373 -2 0 2 2 25.28 32.58 3.5229 1 1 1 4 27.23 76.85 3.2744 -1 1 2 4 28.32 7.48 3.1515 0 2 0 2 31.03 68.38 2.8824 2 0 1 2 31.32 48.21 2.8556 0 2 1 4 33.00 43.07 2.7144 -3 1 1 4 34.55 15.01 2.5958 -3 1 2 4 34.77 79.94 2.5803 -2 2 1 4 35.24 3.17 2.5465 -2 0 3 2 36.35 10.64 2.4717 2 2 0 4 36.40 12.72 2.4685 1 1 2 4 38.25 7.06 2.3531 -2 2 2 4 39.10 15.33 2.3035 0 2 2 4 40.07 11.92 2.2503 0 0 3 2 40.13 1.21 2.2470 -4 0 2 2 40.66 5.67 2.2191 -4 0 1 2 42.50 4.64 2.1270 2 2 1 4 42.56 12.28 2.1242 2 0 2 2 44.57 2.67 2.0328 3 1 1 4 44.60 2.33 2.0316 1 3 0 4 45.01 1.16 2.0141 -1 3 1 4 45.53 2.45 1.9921 4 0 0 2 45.81 8.62 1.9807 -2 2 3 4 47.45 2.19 1.9160 -2 0 4 2 48.33 5.82 1.8833 1 3 1 4 49.20 14.10 1.8520 1 1 3 4 49.47 7.50 1.8423 -1 3 2 4 49.79 1.51 1.8313 0 2 3 4 49.84 5.39 1.8296 -4 2 2 4 50.44 4.26 1.8094 -3 1 4 4 51.68 13.71 1.7687 -4 0 4 2 51.81 1.73 1.7646 -1 1 4 4 51.91 7.46 1.7614 2 2 2 4 52.53 1.49 1.7420 -5 1 2 4 53.18 12.42 1.7224 -3 3 1 4 53.22 36.83 1.7210 -4 2 3 4 54.25 1.56 1.6908 -3 3 2 4 54.33 4.88 1.6886 -5 1 3 4 54.36 7.83 1.6877 0 0 4 2 54.46 2.82 1.6848 -5 1 1 4 54.49 13.83 1.6839 4 2 0 4 55.18 3.23 1.6645 3 1 2 4 55.56 1.06 1.6541 1 3 2 4 56.18 16.73 1.6372 -2 2 4 4 58.58 17.47 1.5757 0 4 0 2 59.86 2.81 1.5451 5 1 0 4 60.32 1.10 1.5345 0 4 1 4 61.08 4.62 1.5172 -2 0 5 2 61.77 1.95 1.5018 3 3 1 4 61.93 13.34 1.4983 4 2 1 4 61.95 4.82 1.4980 -6 0 3 2 62.00 2.52 1.4969 -4 0 5 2 62.42 1.96 1.4878 0 2 4 4 63.62 11.43 1.4626 2 2 3 4 64.68 6.77 1.4412 4 0 2 2 64.77 9.26 1.4394 -2 4 2 4 65.54 5.73 1.4243 1 3 3 4 65.54 2.44 1.4243 -6 0 4 2 66.14 3.37 1.4129 -1 1 5 4 67.78 11.72 1.3826 2 4 1 4 67.83 1.81 1.3817 3 1 3 4 67.89 3.67 1.3806 -5 1 5 4 68.35 1.04 1.3724 -5 3 2 4 69.22 10.37 1.3572 -6 2 2 4 69.89 3.23 1.3459 -5 3 3 4 70.01 2.14 1.3440 -5 3 1 4 70.16 2.22 1.3414 2 0 4 2 70.25 1.10 1.3400 -2 4 3 4 70.63 2.22 1.3335 3 3 2 4 70.97 2.47 1.3281 6 0 0 2 72.06 1.18 1.3107 4 2 2 4 72.14 5.05 1.3093 -6 2 1 4 73.35 3.83 1.2907 0 4 3 4 73.75 2.86 1.2848 -4 4 1 4 74.77 1.88 1.2697 5 3 0 4 75.06 2.18 1.2656 2 4 2 4 75.92 1.02 1.2533 -7 1 2 4 76.02 4.93 1.2519 -3 1 6 4 76.18 2.47 1.2496 -2 0 6 2 76.51 1.83 1.2451 1 5 0 4 76.80 8.07 1.2411 0 2 5 4 77.00 2.77 1.2384 -7 1 4 4 79.28 5.11 1.2084 -6 2 5 4 80.15 3.32 1.1975 -1 5 2 4 80.49 1.64 1.1933 -1 3 5 4 81.54 3.54 1.1805 -4 2 6 4 81.88 4.67 1.1765 -4 4 4 4 82.07 1.29 1.1743 3 3 3 4 82.09 1.20 1.1740 -7 1 5 4 82.13 2.67 1.1736 -5 3 5 4 82.43 1.59 1.1700 3 1 4 4 83.07 1.74 1.1626 -3 5 1 4 83.94 1.08 1.1528 -3 5 2 4 84.03 2.65 1.1518 0 4 4 4 86.90 1.70 1.1209 6 2 1 4 86.97 1.91 1.1202 7 1 0 4 89.72 2.37 1.0929 -2 4 5 4 89.87 2.21 1.0915 -3 3 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.