Kaliochalcite 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 0010973 CELL PARAMETERS: 8.9550 6.2650 7.6280 90.000 117.450 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 379.772 Density (g/cm3): 3.458 MAX. ABS. INTENSITY / VOLUME**2: 14.71922048 RIR: 1.386 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.08 100.00 6.7692 0 0 1 2 18.03 22.59 4.9199 1 1 0 4 19.03 14.92 4.6627 -1 1 1 4 20.03 37.07 4.4330 -2 0 1 2 22.37 8.94 3.9734 2 0 0 2 25.23 6.40 3.5295 1 1 1 4 25.52 71.15 3.4905 -2 0 2 2 26.33 12.62 3.3846 0 0 2 2 27.39 68.86 3.2559 -1 1 2 4 28.49 1.22 3.1325 0 2 0 2 30.90 72.76 2.8935 2 0 1 2 31.47 75.75 2.8429 0 2 1 4 33.33 34.14 2.6880 -3 1 1 4 35.04 15.54 2.5611 -3 1 2 4 35.08 61.02 2.5583 -2 2 1 4 35.56 13.56 2.5244 -2 0 3 2 36.26 14.51 2.4778 1 1 2 4 36.53 15.99 2.4600 2 2 0 4 36.84 1.98 2.4398 3 1 0 4 38.62 50.17 2.3313 -2 2 2 4 39.19 7.17 2.2990 0 2 2 4 39.96 1.98 2.2564 0 0 3 2 40.71 1.57 2.2165 -4 0 2 2 41.03 2.09 2.1999 -4 0 1 2 41.39 2.77 2.1814 -3 1 3 4 42.31 21.31 2.1359 2 0 2 2 44.50 2.10 2.0360 3 1 1 4 45.33 1.28 2.0007 -1 3 1 4 45.67 9.89 1.9867 4 0 0 2 46.18 15.63 1.9656 -2 2 3 4 48.52 1.94 1.8762 1 3 1 4 48.98 5.68 1.8597 1 1 3 4 49.79 2.25 1.8314 -1 3 2 4 49.80 15.19 1.8309 0 2 3 4 50.44 7.71 1.8094 -4 2 2 4 50.71 11.52 1.8003 -4 2 1 4 51.81 10.75 1.7647 2 2 2 4 52.43 17.19 1.7452 -4 0 4 2 53.61 9.70 1.7094 -3 3 1 4 53.74 2.63 1.7056 4 0 1 2 53.93 29.15 1.7000 -4 2 3 4 54.20 15.48 1.6923 0 0 4 2 54.71 14.25 1.6777 4 2 0 4 54.89 1.26 1.6725 -5 1 1 4 55.32 3.80 1.6607 2 0 3 2 56.08 2.97 1.6400 3 3 0 4 56.53 13.30 1.6280 -2 2 4 4 58.97 17.28 1.5662 0 4 0 2 60.69 2.95 1.5259 0 4 1 4 60.75 2.84 1.5246 -4 2 4 4 61.32 2.75 1.5118 -2 0 5 2 61.95 14.61 1.4980 4 2 1 4 62.37 1.81 1.4889 0 2 4 4 62.76 3.20 1.4806 -4 0 5 2 62.89 7.15 1.4777 -6 0 3 2 62.94 2.45 1.4768 -2 4 1 4 63.39 9.72 1.4673 2 2 3 4 63.88 2.67 1.4571 2 4 0 4 64.40 5.38 1.4468 4 0 2 2 65.25 2.95 1.4300 -6 0 1 2 65.30 4.19 1.4290 -2 4 2 4 65.54 3.78 1.4243 1 3 3 4 65.69 3.72 1.4214 0 4 2 4 66.65 1.18 1.4032 -6 0 4 2 67.45 3.04 1.3885 3 1 3 4 68.07 12.67 1.3774 2 4 1 4 68.90 2.78 1.3628 -5 1 5 4 68.97 1.75 1.3615 -2 2 5 4 69.71 1.19 1.3489 2 0 4 2 70.00 13.04 1.3440 -6 2 2 4 70.33 2.06 1.3386 -4 2 5 4 70.56 1.66 1.3348 -5 3 1 4 70.80 3.05 1.3309 -2 4 3 4 72.69 4.76 1.3008 -6 2 1 4 73.44 1.91 1.2894 -6 0 5 2 73.62 1.40 1.2867 0 4 3 4 74.03 1.05 1.2806 -6 2 4 4 74.13 1.71 1.2791 -4 4 2 4 74.34 1.65 1.2759 -4 4 1 4 75.23 3.44 1.2631 2 4 2 4 76.39 2.53 1.2468 -2 0 6 2 76.52 4.55 1.2450 -3 1 6 4 76.68 9.63 1.2427 0 2 5 4 76.96 1.28 1.2389 2 2 4 4 77.62 1.83 1.2300 4 4 0 4 78.30 1.50 1.2211 -7 1 4 4 78.39 2.63 1.2199 6 2 0 4 80.57 2.12 1.1923 -6 2 5 4 80.73 2.68 1.1903 -1 5 2 4 81.88 2.90 1.1765 3 3 3 4 81.90 1.23 1.1762 3 1 4 4 82.37 1.56 1.1707 -4 2 6 4 82.81 4.66 1.1657 -4 4 4 4 83.24 1.76 1.1607 -5 3 5 4 83.44 1.94 1.1584 -2 2 6 4 83.76 1.14 1.1548 -3 5 1 4 84.24 4.80 1.1495 0 4 4 4 84.72 1.15 1.1441 -3 5 2 4 85.44 1.17 1.1364 1 5 2 4 85.84 1.56 1.1320 2 0 5 2 87.28 1.43 1.1171 7 1 0 4 89.95 3.58 1.0907 -6 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.