KCo2Se2O10H3 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 = 293 K _database_code_amcsd 0007251 CELL PARAMETERS: 9.0780 6.4710 7.6870 90.000 113.990 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 412.555 Density (g/cm3): 3.829 MAX. ABS. INTENSITY / VOLUME**2: 18.87122422 RIR: 1.605 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.60 42.13 7.0230 0 0 1 2 17.38 81.79 5.1019 1 1 0 4 18.77 27.58 4.7281 -1 1 1 4 19.95 1.88 4.4497 -2 0 1 2 23.99 25.19 3.7100 1 1 1 4 25.73 77.66 3.4625 -2 0 2 2 26.99 100.00 3.3041 -1 1 2 4 27.57 15.32 3.2355 0 2 0 2 29.12 87.40 3.0665 2 0 1 2 30.42 57.07 2.9386 0 2 1 4 32.67 56.33 2.7409 -3 1 1 4 34.27 70.33 2.6169 -2 2 1 4 34.44 27.55 2.6043 1 1 2 4 34.99 24.17 2.5645 -3 1 2 4 35.18 17.28 2.5509 2 2 0 4 35.30 1.94 2.5423 3 1 0 4 35.56 10.36 2.5249 -2 0 3 2 37.81 16.68 2.3794 0 2 2 4 38.06 11.82 2.3640 -2 2 2 4 38.45 3.28 2.3410 0 0 3 2 39.82 17.03 2.2640 2 0 2 2 40.02 6.78 2.2528 -4 0 1 2 40.53 10.38 2.2257 2 2 1 4 40.55 1.25 2.2249 -4 0 2 2 41.54 1.14 2.1742 -3 1 3 4 42.08 1.69 2.1473 3 1 1 4 43.34 1.87 2.0876 1 3 0 4 43.65 4.02 2.0735 4 0 0 2 43.97 3.04 2.0594 -1 3 1 4 45.11 1.73 2.0099 -4 0 3 2 45.57 5.24 1.9905 -2 2 3 4 46.55 14.32 1.9508 1 1 3 4 46.64 5.41 1.9473 1 3 1 4 47.31 4.13 1.9214 -2 0 4 2 47.97 4.07 1.8966 0 2 3 4 48.39 9.31 1.8810 -1 3 2 4 49.11 5.73 1.8550 2 2 2 4 49.73 2.47 1.8333 -4 2 2 4 50.57 3.40 1.8049 -1 1 4 4 50.98 2.27 1.7915 -3 1 4 4 52.07 15.74 1.7564 -3 3 1 4 52.09 14.33 1.7557 0 0 4 2 52.41 12.85 1.7457 4 2 0 4 52.47 1.69 1.7439 -5 1 2 4 52.88 12.12 1.7313 -4 0 4 2 53.24 5.34 1.7206 -5 1 1 4 53.30 3.16 1.7188 1 3 2 4 53.69 36.70 1.7073 -4 2 3 4 53.69 2.25 1.7072 -3 3 2 4 53.91 1.86 1.7006 3 3 0 4 55.14 4.41 1.6658 -5 1 3 4 55.63 19.35 1.6521 -2 2 4 4 56.92 20.99 1.6178 0 4 0 2 57.34 2.93 1.6068 5 1 0 4 58.55 1.01 1.5765 0 4 1 4 58.70 19.42 1.5728 4 2 1 4 58.99 2.05 1.5657 3 3 1 4 59.94 16.57 1.5432 2 2 3 4 60.37 8.05 1.5332 4 0 2 2 60.37 1.65 1.5332 -2 0 5 2 62.45 2.18 1.4871 -3 1 5 4 62.58 7.17 1.4844 1 3 3 4 62.63 5.53 1.4833 -6 0 3 2 63.04 1.31 1.4746 -6 0 1 2 63.07 5.07 1.4740 -4 0 5 2 63.27 6.59 1.4699 3 1 3 4 63.47 7.75 1.4657 -2 4 2 4 65.20 14.71 1.4308 2 4 1 4 65.64 1.03 1.4224 2 0 4 2 67.01 2.04 1.3966 -6 0 4 2 67.54 1.57 1.3869 -5 3 2 4 67.61 1.20 1.3855 4 2 2 4 67.79 2.16 1.3823 6 0 0 2 68.20 3.64 1.3751 -5 3 1 4 68.46 14.99 1.3704 -6 2 2 4 68.94 2.86 1.3621 -2 4 3 4 69.39 4.46 1.3543 -5 1 5 4 69.85 2.76 1.3466 -5 3 3 4 70.13 4.06 1.3418 -6 2 1 4 70.80 1.76 1.3309 0 4 3 4 71.70 3.00 1.3163 2 4 2 4 71.79 2.26 1.3149 5 3 0 4 71.84 3.36 1.3140 -4 4 1 4 73.50 12.16 1.2884 0 2 5 4 73.90 1.30 1.2824 5 1 2 4 74.15 2.16 1.2787 1 5 0 4 74.79 4.28 1.2695 -2 0 6 2 74.88 1.12 1.2681 -7 1 2 4 75.69 5.94 1.2566 -3 1 6 4 76.62 2.31 1.2436 3 1 4 4 77.06 1.01 1.2375 -2 4 4 4 77.13 4.57 1.2367 3 3 3 4 77.89 4.54 1.2265 -1 5 2 4 78.23 2.81 1.2219 -7 1 4 4 79.26 1.37 1.2086 -1 1 6 4 80.65 1.89 1.1913 2 0 5 2 80.76 2.51 1.1899 -3 5 1 4 80.78 5.21 1.1897 0 4 4 4 80.81 2.78 1.1893 -6 2 5 4 81.42 4.14 1.1820 -4 4 4 4 81.75 2.10 1.1780 1 5 2 4 81.91 1.27 1.1761 -4 2 6 4 82.07 1.74 1.1743 -3 5 2 4 82.82 3.44 1.1655 7 1 0 4 82.83 2.85 1.1654 -5 3 5 4 87.12 1.02 1.1187 5 3 2 4 87.70 4.98 1.1128 4 4 2 4 87.70 1.08 1.1128 -2 4 5 4 88.85 2.61 1.1014 -3 3 6 4 89.63 1.46 1.0937 1 5 3 4 89.68 1.90 1.0933 -6 -4 3 4 89.75 1.76 1.0926 3 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.