Wadsleyite Jacobsen S D, Demouchy S, Frost D J, Ballaran T B, Kung J American Mineralogist 90 (2005) 61-70 A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior Sample: ~9600 wt ppm H2O _database_code_amcsd 0003665 CELL PARAMETERS: 5.6890 11.4830 8.2527 90.000 90.000 90.000 SPACE GROUP: Imma X-RAY WAVELENGTH: 1.541838 Cell Volume: 539.122 Density (g/cm3): 3.466 MAX. ABS. INTENSITY / VOLUME**2: 8.390457997 RIR: 0.788 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 27.82 42.75 3.2073 1 1 2 8 31.16 13.80 2.8707 0 4 0 2 31.45 13.19 2.8445 2 0 0 2 33.50 48.18 2.6752 0 1 3 4 34.25 56.32 2.6184 2 1 1 8 35.68 18.25 2.5167 1 3 2 8 36.27 33.60 2.4766 1 0 3 4 36.72 92.49 2.4476 1 4 1 8 38.19 4.33 2.3565 0 4 2 4 38.44 1.60 2.3420 2 0 2 4 40.38 12.01 2.2338 0 3 3 4 40.78 2.89 2.2125 0 5 1 4 41.02 30.87 2.2004 2 3 1 8 43.88 34.68 2.0632 0 0 4 2 44.86 76.71 2.0206 2 4 0 4 47.54 4.21 1.9125 1 1 4 8 48.08 4.26 1.8924 1 5 2 8 48.55 2.16 1.8752 1 4 3 8 51.86 7.23 1.7630 0 5 3 4 52.06 2.29 1.7568 2 3 3 8 52.39 6.13 1.7464 2 5 1 8 52.92 7.23 1.7301 1 3 4 8 53.80 4.94 1.7040 3 1 2 8 54.79 2.21 1.6754 0 4 4 4 54.98 7.14 1.6701 2 0 4 4 58.20 7.80 1.5852 1 0 5 4 58.77 4.13 1.5712 3 3 2 8 59.18 10.13 1.5613 3 0 3 4 59.48 14.34 1.5540 3 4 1 8 61.15 4.04 1.5156 0 3 5 4 62.70 3.84 1.4818 1 5 4 8 63.14 4.22 1.4724 1 7 2 8 64.56 100.00 1.4436 2 4 4 8 64.97 27.10 1.4354 0 8 0 2 65.65 26.89 1.4223 4 0 0 2 65.94 1.44 1.4167 2 1 5 8 66.35 8.60 1.4089 0 7 3 4 66.80 5.19 1.4004 2 7 1 8 67.59 1.14 1.3860 3 1 4 8 68.02 1.52 1.3783 3 5 2 8 70.22 3.46 1.3403 0 5 5 4 70.98 1.66 1.3280 1 1 6 8 72.00 2.14 1.3116 3 3 4 8 73.97 1.54 1.2815 2 8 0 4 74.45 1.78 1.2744 4 4 0 4 75.29 1.70 1.2622 1 3 6 8 75.74 7.03 1.2558 4 1 3 8 76.52 4.38 1.2450 3 0 5 4 76.75 5.89 1.2419 1 8 3 8 79.97 2.77 1.1997 4 3 3 8 80.51 1.44 1.1930 3 5 4 8 80.91 1.89 1.1881 3 7 2 8 81.73 5.39 1.1783 0 8 4 4 82.35 5.29 1.1710 4 0 4 4 83.53 1.45 1.1575 0 9 3 4 83.95 3.82 1.1527 2 9 1 8 88.16 1.10 1.1082 3 1 6 8 88.28 2.46 1.1069 4 5 3 8 89.83 1.09 1.0919 5 1 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.