NaCo2S2O10H3 Krickl R, Wildner M European Journal of Mineralogy 19 (2007) 805-816 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 105 K _database_code_amcsd 0007247 CELL PARAMETERS: 8.6590 6.2810 7.3680 90.000 115.410 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 361.959 Density (g/cm3): 3.376 MAX. ABS. INTENSITY / VOLUME**2: 14.14853255 RIR: 1.365 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.30 100.00 6.6552 0 0 1 2 18.11 31.94 4.8973 1 1 0 4 19.40 10.05 4.5746 -1 1 1 4 20.83 10.94 4.2643 -2 0 1 2 22.74 18.16 3.9107 2 0 0 2 25.31 14.09 3.5189 1 1 1 4 26.71 76.70 3.3380 -2 0 2 2 26.79 5.69 3.3276 0 0 2 2 28.08 52.91 3.1777 -1 1 2 4 31.10 71.83 2.8755 2 0 1 2 31.50 60.17 2.8402 0 2 1 4 34.21 19.91 2.6208 -3 1 1 4 35.50 77.71 2.5287 -2 2 1 4 36.37 11.07 2.4704 -3 1 2 4 36.50 11.72 2.4620 1 1 2 4 36.70 5.22 2.4487 2 2 0 4 37.03 4.42 2.4278 -2 0 3 2 37.35 1.32 2.4079 3 1 0 4 39.39 39.12 2.2873 -2 2 2 4 39.45 7.79 2.2840 0 2 2 4 40.67 4.00 2.2184 0 0 3 2 42.21 1.71 2.1409 -4 0 1 2 42.39 2.47 2.1322 -4 0 2 2 42.56 25.24 2.1241 2 0 2 2 45.40 1.40 1.9977 -1 3 1 4 46.44 10.65 1.9553 4 0 0 2 47.33 18.15 1.9207 -2 2 3 4 48.47 2.18 1.8780 1 3 1 4 49.45 5.93 1.8432 1 1 3 4 50.11 1.06 1.8202 -1 3 2 4 50.36 15.99 1.8119 0 2 3 4 51.67 13.41 1.7689 -4 2 1 4 51.83 3.45 1.7640 -4 2 2 4 51.97 11.20 1.7594 2 2 2 4 54.13 6.01 1.6943 -3 3 1 4 54.28 1.98 1.6901 4 0 1 2 55.02 16.07 1.6690 -4 0 4 2 55.21 11.99 1.6638 0 0 4 2 55.35 15.85 1.6599 4 2 0 4 55.72 1.38 1.6496 2 0 3 2 55.79 30.72 1.6478 -4 2 3 4 56.36 3.89 1.6324 3 3 0 4 58.05 10.66 1.5889 -2 2 4 4 58.81 17.25 1.5703 0 4 0 2 60.59 3.06 1.5283 0 4 1 4 62.40 11.20 1.4883 4 2 1 4 63.08 2.02 1.4738 -4 2 4 4 63.09 1.09 1.4735 -2 4 1 4 63.25 4.09 1.4702 0 2 4 4 63.43 3.25 1.4665 -2 0 5 2 63.73 10.14 1.4604 2 2 3 4 63.88 4.32 1.4572 2 4 0 4 64.85 5.83 1.4378 4 0 2 2 65.69 3.60 1.4214 -6 0 3 2 65.72 5.23 1.4209 -2 4 2 4 65.76 2.96 1.4201 0 4 2 4 65.79 3.23 1.4195 -4 0 5 2 65.85 2.57 1.4183 1 3 3 4 66.97 1.98 1.3973 -6 0 1 2 67.85 1.71 1.3814 3 1 3 4 68.03 12.06 1.3782 2 4 1 4 70.04 2.78 1.3435 -6 0 4 2 70.36 1.25 1.3381 2 0 4 2 70.63 1.74 1.3336 -5 3 2 4 70.79 1.70 1.3310 3 3 2 4 70.92 2.31 1.3288 -2 2 5 4 71.56 1.86 1.3185 -2 4 3 4 72.07 11.19 1.3104 -6 2 2 4 72.35 1.44 1.3060 -5 1 5 4 73.95 1.74 1.2817 0 4 3 4 74.29 4.35 1.2767 -6 2 1 4 75.01 1.47 1.2662 -4 4 1 4 75.14 2.50 1.2644 -4 4 2 4 75.26 3.74 1.2627 2 4 2 4 75.93 1.17 1.2531 5 3 0 4 76.86 1.01 1.2403 1 5 0 4 77.44 1.38 1.2325 -6 0 5 2 77.96 8.86 1.2255 0 2 5 4 78.05 1.60 1.2243 4 4 0 4 78.97 4.17 1.2124 -2 0 6 2 79.54 3.64 1.2052 -3 1 6 4 80.84 2.53 1.1890 -1 5 2 4 82.12 1.33 1.1737 -7 1 4 4 82.18 1.25 1.1730 3 3 3 4 84.43 2.62 1.1473 -6 2 5 4 84.73 2.24 1.1441 4 2 3 4 84.77 4.82 1.1436 -4 4 4 4 84.92 3.55 1.1420 0 4 4 4 85.29 1.04 1.1380 -3 5 2 4 85.37 1.16 1.1372 1 5 2 4 86.44 1.33 1.1257 -5 3 5 4 86.82 1.05 1.1218 2 0 5 2 87.71 1.02 1.1127 -6 0 6 2 87.96 2.53 1.1102 6 2 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.