NaCo2Se2O10H3 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 0007250 CELL PARAMETERS: 8.9390 6.3820 7.5540 90.000 115.090 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 390.283 Density (g/cm3): 3.929 MAX. ABS. INTENSITY / VOLUME**2: 19.55385039 RIR: 1.620 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.94 41.22 6.8412 0 0 1 2 17.70 100.00 5.0119 1 1 0 4 19.01 16.29 4.6694 -1 1 1 4 21.96 2.61 4.0478 2 0 0 2 24.62 38.12 3.6158 1 1 1 4 26.02 98.12 3.4250 -2 0 2 2 27.44 89.50 3.2504 -1 1 2 4 27.96 12.00 3.1910 0 2 0 2 30.04 84.78 2.9745 2 0 1 2 30.92 49.04 2.8919 0 2 1 4 33.20 44.89 2.6987 -3 1 1 4 34.74 93.15 2.5821 -2 2 1 4 35.39 16.21 2.5362 -3 1 2 4 35.44 18.10 2.5326 1 1 2 4 35.83 9.92 2.5059 2 2 0 4 36.09 3.28 2.4887 -2 0 3 2 36.14 1.29 2.4855 3 1 0 4 38.56 6.90 2.3347 -2 2 2 4 38.59 17.03 2.3333 0 2 2 4 39.52 10.16 2.2804 0 0 3 2 40.78 5.63 2.2127 -4 0 1 2 41.08 2.13 2.1974 -4 0 2 2 41.14 16.65 2.1940 2 0 2 2 41.50 6.99 2.1758 2 2 1 4 42.03 2.10 2.1499 -3 1 3 4 43.32 4.71 2.0889 3 1 1 4 44.01 2.71 2.0575 1 3 0 4 44.60 2.32 2.0316 -1 3 1 4 44.78 2.50 2.0239 4 0 0 2 45.60 1.15 1.9894 -4 0 3 2 46.26 7.24 1.9624 -2 2 3 4 47.50 6.62 1.9142 1 3 1 4 47.97 15.03 1.8964 1 1 3 4 48.19 3.40 1.8885 -2 0 4 2 49.10 2.47 1.8553 0 2 3 4 49.15 8.38 1.8535 -1 3 2 4 50.42 2.21 1.8098 -4 2 2 4 50.48 7.28 1.8079 2 2 2 4 51.71 4.47 1.7678 -3 1 4 4 51.75 3.63 1.7666 -1 1 4 4 52.89 13.42 1.7310 -3 3 1 4 53.29 2.65 1.7192 -5 1 2 4 53.36 2.98 1.7170 3 1 2 4 53.51 12.73 1.7125 -4 0 4 2 53.58 9.93 1.7103 0 0 4 2 53.62 16.81 1.7091 4 2 0 4 54.34 3.30 1.6883 -5 1 1 4 54.34 40.47 1.6882 -4 2 3 4 54.43 1.45 1.6858 -3 3 2 4 54.46 1.51 1.6847 1 3 2 4 54.96 1.65 1.6706 3 3 0 4 55.82 5.03 1.6471 -5 1 3 4 56.63 17.98 1.6252 -2 2 4 4 57.79 20.13 1.5955 0 4 0 2 58.84 3.64 1.5694 5 1 0 4 59.38 1.64 1.5565 -3 3 3 4 59.49 1.02 1.5538 0 4 1 4 60.34 15.28 1.5340 4 2 1 4 60.39 2.92 1.5329 3 3 1 4 61.52 1.40 1.5074 0 2 4 4 61.67 3.12 1.5040 -2 0 5 2 61.77 14.10 1.5017 2 2 3 4 62.44 8.31 1.4872 4 0 2 2 63.50 3.59 1.4649 -6 0 3 2 63.96 3.54 1.4555 -4 0 5 2 64.15 6.09 1.4518 1 3 3 4 64.42 9.68 1.4463 -2 4 2 4 64.48 1.08 1.4452 -6 0 1 2 65.47 3.04 1.4257 3 1 3 4 65.87 2.95 1.4179 -1 1 5 4 66.50 13.81 1.4060 2 4 1 4 67.82 3.48 1.3819 -6 0 4 2 67.95 1.94 1.3796 2 0 4 2 68.63 1.95 1.3675 -5 3 2 4 68.70 2.46 1.3664 3 3 2 4 69.54 2.41 1.3518 -5 3 1 4 69.69 11.67 1.3494 -6 2 2 4 69.69 2.71 1.3493 6 0 0 2 69.76 2.29 1.3480 4 2 2 4 70.05 1.37 1.3432 -2 4 3 4 70.27 3.57 1.3395 -5 1 5 4 70.83 3.46 1.3303 -5 3 3 4 71.69 4.29 1.3165 -6 2 1 4 72.27 3.41 1.3073 0 4 3 4 73.12 3.04 1.2941 -4 4 1 4 73.33 1.10 1.2911 -4 4 2 4 73.37 2.70 1.2904 2 4 2 4 73.50 2.67 1.2884 5 3 0 4 75.39 2.41 1.2608 1 5 0 4 75.62 10.55 1.2575 0 2 5 4 76.39 1.36 1.2468 -7 1 2 4 76.48 1.42 1.2455 5 1 2 4 76.61 4.19 1.2437 -2 0 6 2 77.24 5.16 1.2352 -3 1 6 4 77.95 1.05 1.2256 1 5 1 4 79.22 4.02 1.2092 -1 5 2 4 79.31 2.91 1.2080 -7 1 4 4 79.47 1.90 1.2060 3 1 4 4 79.53 1.98 1.2053 3 3 3 4 79.90 1.40 1.2005 -1 3 5 4 81.87 4.70 1.1766 -6 2 5 4 82.16 1.99 1.1732 -3 5 1 4 82.66 4.40 1.1674 -4 4 4 4 82.72 3.37 1.1667 0 4 4 4 83.36 1.97 1.1593 -4 2 6 4 83.41 1.22 1.1588 -3 5 2 4 83.44 1.40 1.1585 1 5 2 4 83.65 1.12 1.1560 2 0 5 2 84.03 2.79 1.1518 -5 3 5 4 84.51 2.13 1.1465 6 2 1 4 85.29 1.95 1.1380 7 1 0 4 89.56 1.63 1.0944 -2 4 5 4 89.98 1.35 1.0904 5 3 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.