MgSi(OH)6 Wunder B, Jahn S, Koch-Muller M, Speziale S American Mineralogist 97 (2012) 1043-1048 The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Locality: synthetic _database_code_amcsd 0019163 CELL PARAMETERS: 5.1131 5.1898 7.3303 90.000 90.030 90.000 SPACE GROUP: P2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 194.517 Density (g/cm3): 2.636 MAX. ABS. INTENSITY / VOLUME**2: 10.65620268 RIR: 1.316 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.97 9.09 4.2357 0 1 1 2 21.18 4.51 4.1947 -1 0 1 2 21.19 4.85 4.1926 1 0 1 2 24.28 55.33 3.6651 0 0 2 2 24.44 100.00 3.6423 1 1 0 2 34.57 8.06 2.5949 0 2 0 1 34.72 3.84 2.5840 -1 1 2 2 34.73 3.93 2.5831 1 1 2 2 35.10 1.94 2.5565 2 0 0 2 36.74 10.59 2.4462 0 2 1 2 38.92 7.63 2.3140 1 2 0 2 39.28 20.58 2.2934 2 1 0 2 40.89 3.79 2.2068 -1 2 1 2 40.90 7.30 2.2065 1 2 1 2 40.93 16.24 2.2051 -1 0 3 2 40.94 13.13 2.2042 1 0 3 2 41.24 5.75 2.1891 -2 1 1 2 41.25 11.91 2.1885 2 1 1 2 43.13 2.13 2.0974 -2 0 2 2 43.15 2.25 2.0963 2 0 2 2 44.65 3.00 2.0295 -1 1 3 2 44.67 4.88 2.0288 1 1 3 2 46.40 6.72 1.9568 -1 2 2 2 46.41 4.25 1.9564 1 2 2 2 46.71 3.54 1.9446 -2 1 2 2 49.75 11.31 1.8326 0 0 4 2 50.09 19.26 1.8212 2 2 0 2 51.36 1.91 1.7789 0 2 3 2 54.63 1.04 1.6799 1 2 3 2 56.13 18.33 1.6387 1 3 0 2 56.18 6.66 1.6373 -1 1 4 2 56.20 16.33 1.6368 1 1 4 2 56.41 13.11 1.6312 -2 2 2 2 56.43 4.39 1.6307 2 2 2 2 56.86 7.21 1.6193 3 1 0 2 57.64 1.84 1.5993 -1 3 1 2 58.37 2.24 1.5810 3 1 1 2 62.00 9.12 1.4969 0 2 4 2 62.03 5.82 1.4961 -1 3 2 2 62.04 3.13 1.4959 1 3 2 2 62.36 4.78 1.4891 2 0 4 2 62.72 13.11 1.4814 -3 1 2 2 62.74 6.80 1.4809 3 1 2 2 63.75 1.08 1.4599 2 2 3 2 66.90 1.31 1.3985 -3 2 1 2 69.64 1.30 1.3501 -3 1 3 2 69.68 2.23 1.3495 3 1 3 2 72.91 1.92 1.2974 0 4 0 1 73.27 3.49 1.2920 -2 2 4 2 73.30 2.99 1.2915 2 2 4 2 74.31 1.60 1.2764 0 2 5 2 75.62 2.04 1.2576 1 4 0 2 76.99 2.11 1.2386 -1 2 5 2 77.17 1.14 1.2361 -2 3 3 2 77.19 2.41 1.2358 2 3 3 2 77.21 1.35 1.2355 -2 1 5 2 78.15 1.01 1.2231 0 4 2 2 78.26 3.46 1.2216 -1 3 4 2 78.27 3.27 1.2214 1 3 4 2 78.86 1.41 1.2137 -3 1 4 2 78.91 1.40 1.2131 3 1 4 2 79.38 1.48 1.2072 -4 0 2 2 79.41 1.97 1.2068 4 0 2 2 81.94 1.02 1.1758 -4 1 2 2 83.44 1.77 1.1584 -1 1 6 2 83.46 1.16 1.1582 1 1 6 2 83.57 2.77 1.1570 2 4 0 2 83.98 1.51 1.1524 3 3 2 2 84.49 1.36 1.1467 4 2 0 2 84.56 1.74 1.1459 0 4 3 2 88.45 2.08 1.1053 0 2 6 2 88.64 1.55 1.1034 -2 4 2 2 88.66 2.45 1.1032 2 4 2 2 88.73 1.81 1.1025 -2 0 6 2 89.55 3.82 1.0945 -4 2 2 2 89.58 3.60 1.0942 4 2 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.