Natrochalcite Chevrier G, Giester G, Zemann J Zeitschrift fur Kristallographie 206 (1993) 7-14 Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2: Variation of the hydrogen bond system in the natrochalcite-type series Locality: synthetic _database_code_amcsd 0011040 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): 3.491 MAX. ABS. INTENSITY / VOLUME**2: 15.80205132 RIR: 1.474 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 31.24 4.8288 1 1 0 4 19.25 5.20 4.6105 -1 1 1 4 20.31 21.66 4.3728 -2 0 1 2 23.03 20.80 3.8619 2 0 0 2 25.77 88.46 3.4569 -2 0 2 2 25.96 13.91 3.4327 1 1 1 4 27.09 7.15 3.2920 0 0 2 2 27.83 48.72 3.2052 -1 1 2 4 31.96 67.14 2.7998 0 2 1 4 32.01 60.83 2.7957 2 0 1 2 33.94 22.33 2.6415 -3 1 1 4 35.43 10.58 2.5335 -3 1 2 4 35.55 77.10 2.5254 -2 2 1 4 36.06 8.10 2.4906 -2 0 3 2 37.24 7.74 2.4144 2 2 0 4 37.40 9.55 2.4044 1 1 2 4 37.85 1.24 2.3770 3 1 0 4 39.07 41.45 2.3052 -2 2 2 4 39.99 10.16 2.2543 0 2 2 4 41.13 6.46 2.1947 0 0 3 2 41.29 2.07 2.1864 -4 0 2 2 41.83 1.51 2.1596 -3 1 3 4 41.95 3.00 2.1535 -4 0 1 2 43.89 19.91 2.0630 2 0 2 2 45.24 1.35 2.0045 -4 0 3 2 46.83 17.31 1.9400 -2 2 3 4 47.06 10.30 1.9310 4 0 0 2 49.40 2.46 1.8447 1 3 1 4 50.51 1.03 1.8068 -1 3 2 4 50.59 6.18 1.8041 1 1 3 4 51.02 12.12 1.7900 0 2 3 4 51.16 6.94 1.7855 -4 2 2 4 51.72 10.87 1.7674 -4 2 1 4 52.98 16.87 1.7284 -4 0 4 2 53.38 12.76 1.7163 2 2 2 4 54.46 6.49 1.6847 -3 3 1 4 54.55 28.16 1.6822 -4 2 3 4 55.68 2.82 1.6509 4 0 1 2 55.86 12.57 1.6460 0 0 4 2 55.86 1.07 1.6459 -5 1 3 4 56.15 15.14 1.6380 4 2 0 4 57.23 2.75 1.6096 3 3 0 4 57.41 1.69 1.6051 2 0 3 2 57.51 10.54 1.6026 -2 2 4 4 59.79 15.70 1.5467 0 4 0 2 61.45 3.13 1.5089 -4 2 4 4 61.59 3.26 1.5058 0 4 1 4 62.64 4.13 1.4830 -2 0 5 2 63.56 2.93 1.4638 -4 0 5 2 63.83 1.66 1.4582 -2 4 1 4 63.86 5.10 1.4576 -6 0 3 2 63.92 10.69 1.4565 4 2 1 4 64.08 3.68 1.4531 0 2 4 4 64.95 4.10 1.4359 2 4 0 4 65.52 10.37 1.4248 2 2 3 4 66.19 5.97 1.4119 -2 4 2 4 66.83 2.76 1.3999 0 4 2 4 66.94 4.85 1.3979 4 0 2 2 67.03 2.25 1.3961 -6 0 1 2 67.27 2.85 1.3918 1 3 3 4 67.45 1.95 1.3885 -6 0 4 2 69.45 10.54 1.3534 2 4 1 4 69.68 1.68 1.3495 -5 1 5 4 70.27 1.02 1.3395 -5 3 2 4 70.41 1.98 1.3373 -2 2 5 4 71.27 1.51 1.3231 -4 2 5 4 71.42 11.78 1.3207 -6 2 2 4 71.77 1.14 1.3152 -5 3 3 4 71.85 2.37 1.3140 -2 4 3 4 72.44 1.87 1.3047 2 0 4 2 72.74 1.38 1.3000 3 3 2 4 74.24 1.53 1.2774 -6 0 5 2 74.58 5.11 1.2725 -6 2 1 4 75.14 2.56 1.2643 0 4 3 4 75.25 1.85 1.2627 -4 4 2 4 75.71 2.07 1.2563 -4 4 1 4 77.06 3.27 1.2375 2 4 2 4 78.05 3.49 1.2244 -3 1 6 4 78.29 2.58 1.2212 -2 0 6 2 79.03 7.11 1.2116 0 2 5 4 79.37 1.70 1.2072 4 4 0 4 80.88 1.09 1.1885 6 2 0 4 81.53 3.59 1.1807 -6 2 5 4 82.01 2.04 1.1750 -1 5 2 4 83.72 2.55 1.1552 -4 2 6 4 83.96 4.69 1.1526 -4 4 4 4 83.98 1.19 1.1523 -6 0 6 2 84.33 1.41 1.1485 -5 3 5 4 85.49 2.23 1.1359 -2 2 6 4 86.30 3.68 1.1272 0 4 4 4 87.68 2.16 1.1130 4 2 3 4 89.43 1.09 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.