Natrochalcite 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 0010968 CELL PARAMETERS: 8.8090 6.1870 7.5090 90.000 118.740 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 358.835 Density (g/cm3): 3.502 MAX. ABS. INTENSITY / VOLUME**2: 16.24709437 RIR: 1.511 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.45 100.00 6.5840 0 0 1 2 18.37 30.28 4.8288 1 1 0 4 19.25 5.48 4.6105 -1 1 1 4 20.31 22.84 4.3728 -2 0 1 2 23.03 20.58 3.8619 2 0 0 2 25.77 87.39 3.4569 -2 0 2 2 25.96 14.54 3.4327 1 1 1 4 27.09 8.10 3.2920 0 0 2 2 27.83 50.27 3.2052 -1 1 2 4 31.96 62.43 2.7998 0 2 1 4 32.01 61.11 2.7957 2 0 1 2 33.94 23.40 2.6415 -3 1 1 4 35.43 8.94 2.5335 -3 1 2 4 35.55 73.12 2.5254 -2 2 1 4 36.06 7.20 2.4906 -2 0 3 2 37.24 7.13 2.4144 2 2 0 4 37.40 8.77 2.4044 1 1 2 4 39.07 40.06 2.3052 -2 2 2 4 39.99 8.69 2.2543 0 2 2 4 41.13 6.41 2.1947 0 0 3 2 41.29 1.62 2.1864 -4 0 2 2 41.83 1.75 2.1596 -3 1 3 4 41.95 2.49 2.1535 -4 0 1 2 43.89 20.79 2.0630 2 0 2 2 46.83 17.62 1.9400 -2 2 3 4 47.06 9.16 1.9310 4 0 0 2 49.40 2.47 1.8447 1 3 1 4 50.51 1.29 1.8068 -1 3 2 4 50.59 6.84 1.8041 1 1 3 4 51.02 11.49 1.7900 0 2 3 4 51.16 7.45 1.7855 -4 2 2 4 51.72 11.33 1.7674 -4 2 1 4 52.98 15.48 1.7284 -4 0 4 2 53.38 11.12 1.7163 2 2 2 4 54.46 6.81 1.6847 -3 3 1 4 54.55 28.69 1.6822 -4 2 3 4 55.68 2.52 1.6509 4 0 1 2 55.86 11.70 1.6460 0 0 4 2 56.15 15.51 1.6380 4 2 0 4 57.23 2.28 1.6096 3 3 0 4 57.41 1.94 1.6051 2 0 3 2 57.51 11.08 1.6026 -2 2 4 4 59.79 15.58 1.5467 0 4 0 2 61.21 1.10 1.5143 -5 1 4 4 61.45 3.33 1.5089 -4 2 4 4 61.59 3.42 1.5058 0 4 1 4 62.64 3.73 1.4830 -2 0 5 2 63.56 2.77 1.4638 -4 0 5 2 63.83 1.63 1.4582 -2 4 1 4 63.86 4.93 1.4576 -6 0 3 2 63.92 10.61 1.4565 4 2 1 4 64.08 3.75 1.4531 0 2 4 4 64.95 4.03 1.4359 2 4 0 4 65.52 9.08 1.4248 2 2 3 4 66.19 5.58 1.4119 -2 4 2 4 66.83 2.87 1.3999 0 4 2 4 66.94 4.66 1.3979 4 0 2 2 67.03 2.09 1.3961 -6 0 1 2 67.27 3.04 1.3918 1 3 3 4 67.45 1.96 1.3885 -6 0 4 2 69.45 10.51 1.3534 2 4 1 4 69.68 1.87 1.3495 -5 1 5 4 70.27 1.08 1.3395 -5 3 2 4 70.41 2.10 1.3373 -2 2 5 4 71.27 1.45 1.3231 -4 2 5 4 71.42 11.41 1.3207 -6 2 2 4 71.85 2.07 1.3140 -2 4 3 4 72.44 1.91 1.3047 2 0 4 2 72.74 1.51 1.3000 3 3 2 4 74.24 1.64 1.2774 -6 0 5 2 74.58 4.99 1.2725 -6 2 1 4 75.14 2.47 1.2643 0 4 3 4 75.25 1.56 1.2627 -4 4 2 4 75.71 1.76 1.2563 -4 4 1 4 77.06 3.41 1.2375 2 4 2 4 78.05 3.59 1.2244 -3 1 6 4 78.29 2.35 1.2212 -2 0 6 2 79.03 7.07 1.2116 0 2 5 4 79.37 1.48 1.2072 4 4 0 4 80.88 1.17 1.1885 6 2 0 4 81.53 3.11 1.1807 -6 2 5 4 82.01 2.13 1.1750 -1 5 2 4 83.72 2.32 1.1552 -4 2 6 4 83.96 4.27 1.1526 -4 4 4 4 83.98 1.23 1.1523 -6 0 6 2 84.33 1.51 1.1485 -5 3 5 4 85.49 2.25 1.1359 -2 2 6 4 86.30 3.40 1.1272 0 4 4 4 87.68 1.96 1.1130 4 2 3 4 89.43 1.06 1.0957 2 0 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.