NaNi2S2O10H3 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 0007249 CELL PARAMETERS: 8.5950 6.1720 7.3190 90.000 114.810 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 352.426 Density (g/cm3): 3.463 MAX. ABS. INTENSITY / VOLUME**2: 17.75724212 RIR: 1.670 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.33 100.00 6.6435 0 0 1 2 18.33 26.56 4.8404 1 1 0 4 19.68 8.46 4.5108 -1 1 1 4 21.02 11.90 4.2261 -2 0 1 2 22.80 15.85 3.9009 2 0 0 2 25.43 10.29 3.5022 1 1 1 4 26.84 6.16 3.3217 0 0 2 2 26.98 66.67 3.3045 -2 0 2 2 28.35 42.05 3.1477 -1 1 2 4 31.08 62.41 2.8777 2 0 1 2 31.98 50.73 2.7988 0 2 1 4 34.53 16.10 2.5976 -3 1 1 4 36.04 66.66 2.4923 -2 2 1 4 36.58 9.90 2.4567 1 1 2 4 36.79 8.85 2.4427 -3 1 2 4 37.15 5.74 2.4202 2 2 0 4 37.35 4.09 2.4078 -2 0 3 2 37.53 1.08 2.3965 3 1 0 4 39.87 6.90 2.2609 0 2 2 4 39.97 34.08 2.2554 -2 2 2 4 40.75 3.46 2.2145 0 0 3 2 42.47 1.60 2.1283 -4 0 1 2 42.51 24.20 2.1266 2 0 2 2 42.80 2.39 2.1130 -4 0 2 2 46.21 1.16 1.9644 -1 3 1 4 46.56 9.39 1.9504 4 0 0 2 47.92 15.87 1.8984 -2 2 3 4 49.20 1.63 1.8520 1 3 1 4 49.52 3.99 1.8406 1 1 3 4 50.74 14.41 1.7992 0 2 3 4 52.21 11.15 1.7521 -4 2 1 4 52.24 9.10 1.7511 2 2 2 4 52.48 3.35 1.7435 -4 2 2 4 54.29 1.84 1.6896 4 0 1 2 54.95 4.92 1.6708 -3 3 1 4 55.31 10.63 1.6609 0 0 4 2 55.63 13.49 1.6522 -4 0 4 2 55.67 1.58 1.6512 2 0 3 2 55.75 13.86 1.6487 4 2 0 4 56.54 26.63 1.6276 -4 2 3 4 57.08 2.81 1.6135 3 3 0 4 58.66 9.48 1.5739 -2 2 4 4 59.95 14.47 1.5430 0 4 0 2 61.72 2.90 1.5030 0 4 1 4 62.69 10.93 1.4820 4 2 1 4 63.62 3.76 1.4625 0 2 4 4 63.83 2.61 1.4583 -2 0 5 2 63.91 1.95 1.4566 -4 2 4 4 63.95 9.05 1.4559 2 2 3 4 64.27 1.13 1.4494 -2 4 1 4 64.80 5.26 1.4388 4 0 2 2 65.00 3.32 1.4348 2 4 0 4 66.36 3.12 1.4087 -6 0 3 2 66.45 1.84 1.4069 1 3 3 4 66.47 2.80 1.4065 -4 0 5 2 66.86 2.48 1.3994 0 4 2 4 66.93 4.80 1.3981 -2 4 2 4 67.32 1.80 1.3908 -6 0 1 2 67.82 1.81 1.3818 3 1 3 4 69.07 10.09 1.3599 2 4 1 4 70.30 1.00 1.3390 2 0 4 2 70.85 2.47 1.3299 -6 0 4 2 71.32 1.00 1.3223 3 3 2 4 71.56 2.40 1.3185 -2 2 5 4 71.60 1.18 1.3180 -5 3 2 4 72.80 1.67 1.2991 -2 4 3 4 72.82 9.34 1.2988 -6 2 2 4 73.23 1.12 1.2925 -5 1 5 4 74.89 4.29 1.2680 -6 2 1 4 75.03 1.49 1.2660 0 4 3 4 76.21 1.33 1.2492 -4 4 1 4 76.24 3.79 1.2489 2 4 2 4 76.44 2.04 1.2461 -4 4 2 4 78.35 8.06 1.2204 0 2 5 4 78.40 1.27 1.2197 -6 0 5 2 79.15 1.58 1.2101 4 4 0 4 79.44 3.83 1.2064 -2 0 6 2 80.22 2.66 1.1967 -3 1 6 4 82.46 1.99 1.1696 -1 5 2 4 82.66 1.35 1.1674 3 3 3 4 83.11 1.08 1.1621 -7 1 4 4 84.87 1.47 1.1425 4 2 3 4 85.63 2.39 1.1344 -6 2 5 4 85.99 3.30 1.1304 0 4 4 4 86.25 4.22 1.1277 -4 4 4 4 87.77 1.06 1.1120 -5 3 5 4 88.29 1.99 1.1068 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.