Sr(IO3)2.H2O Lutz H D, Kellersohn T, Vogt T Acta Crystallographica C46 (1990) 979-981 Structural instability of the water molecule in Sr(IO3)2.H2O, a neutron diffraction study _database_code_amcsd 0010145 CELL PARAMETERS: 8.9003 7.7480 9.6496 90.000 90.230 90.000 SPACE GROUP: I2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 665.426 Density (g/cm3): 4.545 MAX. ABS. INTENSITY / VOLUME**2: 35.58351784 RIR: 2.549 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.66 12.86 6.0415 0 1 1 4 15.16 36.54 5.8439 1 1 0 4 18.39 17.99 4.8248 0 0 2 2 19.95 65.45 4.4501 2 0 0 2 22.96 57.89 3.8740 0 2 0 2 23.89 1.17 3.7254 -1 1 2 4 23.95 12.70 3.7158 1 1 2 4 24.82 23.85 3.5873 -2 1 1 4 24.88 56.41 3.5787 2 1 1 4 26.73 26.17 3.3352 -1 2 1 4 27.21 60.25 3.2777 -2 0 2 2 27.32 53.90 3.2646 2 0 2 2 29.57 78.11 3.0207 0 2 2 4 30.08 100.00 2.9707 0 1 3 4 30.60 89.94 2.9219 2 2 0 4 32.31 4.58 2.7706 3 1 0 4 35.89 15.68 2.5023 -2 2 2 4 35.98 10.22 2.4964 2 2 2 4 36.00 15.96 2.4949 0 3 1 4 36.22 1.04 2.4803 1 3 0 4 36.30 10.24 2.4750 -2 1 3 4 36.43 12.20 2.4665 2 1 3 4 37.27 1.92 2.4124 0 0 4 2 37.37 2.10 2.4065 -3 1 2 4 37.76 17.88 2.3824 1 2 3 4 39.41 4.27 2.2865 3 2 1 4 40.41 10.53 2.2319 -1 1 4 4 40.54 40.59 2.2251 4 0 0 2 40.89 8.30 2.2069 -1 3 2 4 40.93 9.49 2.2049 1 3 2 4 41.48 4.22 2.1772 -2 3 1 4 42.56 2.73 2.1244 -2 0 4 2 42.71 4.58 2.1172 2 0 4 2 43.30 3.57 2.0897 -4 1 1 4 43.37 9.41 2.0863 4 1 1 4 44.79 3.78 2.0236 -4 0 2 2 45.02 2.60 2.0138 0 3 3 4 46.91 1.15 1.9370 0 4 0 2 47.10 11.00 1.9295 4 2 0 4 47.79 9.27 1.9033 -3 2 3 4 48.62 12.02 1.8727 0 1 5 4 48.90 1.82 1.8627 -2 2 4 4 49.04 3.70 1.8576 -1 4 1 4 49.06 13.46 1.8570 1 4 1 4 49.64 18.83 1.8364 -2 3 3 4 49.74 24.98 1.8330 2 3 3 4 50.24 4.27 1.8160 3 1 4 4 50.48 1.55 1.8079 -3 3 2 4 50.58 3.29 1.8046 3 3 2 4 50.79 9.54 1.7975 0 4 2 4 50.91 17.77 1.7937 -4 2 2 4 51.04 6.23 1.7894 4 2 2 4 51.20 10.67 1.7841 -4 1 3 4 51.40 19.23 1.7777 4 1 3 4 51.45 13.52 1.7760 2 4 0 4 52.92 6.65 1.7303 -1 3 4 4 52.98 17.45 1.7285 -2 1 5 4 52.98 5.28 1.7284 1 3 4 4 53.14 14.60 1.7237 2 1 5 4 54.12 1.48 1.6946 1 2 5 4 55.07 2.46 1.6676 -2 4 2 4 55.29 1.05 1.6614 -4 3 1 4 55.35 8.57 1.6597 4 3 1 4 56.12 3.07 1.6389 -4 0 4 2 56.38 2.74 1.6318 -1 4 3 4 56.43 2.38 1.6305 5 1 2 4 57.29 6.13 1.6083 0 0 6 2 57.61 8.04 1.6000 -3 4 1 4 57.76 4.58 1.5962 -5 2 1 4 59.67 1.48 1.5496 1 1 6 4 59.82 15.24 1.5460 0 3 5 4 61.06 1.35 1.5175 -3 3 4 4 61.24 2.96 1.5136 3 3 4 4 61.66 2.14 1.5042 4 2 4 4 62.26 1.85 1.4912 4 3 3 4 62.53 2.49 1.4853 0 2 6 4 62.63 2.19 1.4834 6 0 0 2 63.66 2.62 1.4618 -2 3 5 4 63.70 1.10 1.4610 4 4 0 4 63.80 1.59 1.4589 2 3 5 4 63.95 7.57 1.4558 -1 5 2 4 63.98 1.68 1.4552 1 5 2 4 64.41 2.16 1.4466 2 5 1 4 64.75 7.74 1.4397 6 1 1 4 64.96 4.97 1.4355 -4 1 5 4 65.18 1.76 1.4313 -2 4 4 4 65.24 1.62 1.4300 4 1 5 4 65.79 5.89 1.4195 -6 0 2 2 65.96 1.82 1.4163 6 0 2 2 66.23 1.67 1.4111 -5 1 4 4 66.26 2.97 1.4105 -2 2 6 4 66.43 5.58 1.4074 2 2 6 4 66.77 3.29 1.4011 5 3 2 4 66.86 5.16 1.3993 -4 4 2 4 66.97 2.59 1.3972 4 4 2 4 67.04 2.18 1.3960 0 5 3 4 67.63 6.13 1.3853 6 2 0 4 69.23 3.96 1.3572 0 1 7 4 69.72 1.28 1.3487 1 3 6 4 70.68 3.01 1.3328 -6 2 2 4 70.77 1.66 1.3314 2 5 3 4 71.15 2.91 1.3252 6 1 3 4 71.44 6.33 1.3204 3 5 2 4 72.68 4.01 1.3009 4 0 6 2 72.77 1.15 1.2996 -2 1 7 4 72.79 1.77 1.2992 -5 4 1 4 72.86 2.12 1.2982 5 4 1 4 73.31 1.07 1.2913 0 6 0 2 73.37 1.23 1.2904 -1 5 4 4 73.42 5.82 1.2896 1 5 4 4 73.68 2.23 1.2858 -1 2 7 4 74.36 1.48 1.2756 -6 3 1 4 74.64 7.56 1.2715 -4 3 5 4 74.91 5.06 1.2677 4 3 5 4 74.96 2.59 1.2670 -1 6 1 4 74.97 3.50 1.2668 1 6 1 4 75.35 1.41 1.2613 6 0 4 2 75.84 1.48 1.2544 -5 3 4 4 76.10 1.59 1.2508 5 3 4 4 77.07 1.44 1.2374 5 2 5 4 77.38 2.40 1.2333 4 2 6 4 78.76 2.63 1.2150 -5 4 3 4 79.69 1.49 1.2033 -6 2 4 4 79.83 1.91 1.2015 -2 6 2 4 80.29 2.08 1.1958 -6 3 3 4 80.38 3.46 1.1946 -3 5 4 4 80.51 1.37 1.1931 -2 4 6 4 80.52 5.06 1.1929 6 3 3 4 80.66 2.62 1.1912 2 4 6 4 80.91 1.18 1.1881 3 2 7 4 80.93 1.24 1.1879 -1 6 3 4 81.29 1.06 1.1835 -4 5 3 4 81.45 1.58 1.1816 4 5 3 4 81.78 1.98 1.1777 6 4 0 4 81.97 3.49 1.1754 -3 6 1 4 82.01 1.25 1.1750 3 6 1 4 82.08 2.41 1.1742 -2 3 7 4 82.26 1.06 1.1720 2 3 7 4 82.54 1.39 1.1688 5 5 0 4 82.71 1.52 1.1668 -2 5 5 4 82.83 2.40 1.1654 -2 0 8 2 82.83 1.17 1.1653 2 5 5 4 82.87 4.77 1.1650 -6 1 5 4 83.04 2.87 1.1630 2 0 8 2 83.24 3.88 1.1607 -4 1 7 4 83.25 2.32 1.1606 6 1 5 4 84.04 3.50 1.1517 0 2 8 4 85.42 1.33 1.1366 -5 5 2 4 85.54 1.14 1.1352 5 5 2 4 85.81 1.26 1.1323 -7 2 3 4 87.30 1.51 1.1169 4 6 0 4 87.39 1.27 1.1160 -2 2 8 4 87.59 1.49 1.1139 2 2 8 4 87.60 1.94 1.1138 1 4 7 4 87.73 1.77 1.1125 8 0 0 2 88.22 2.23 1.1076 -1 5 6 4 89.64 1.41 1.0936 8 1 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.