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: ~3200 wt ppm H2O
_database_code_amcsd 0003664
CELL PARAMETERS: 5.6941 11.4597 8.2556 90.000 90.000 90.000
SPACE GROUP: Imma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 538.700
Density (g/cm3): 3.469
MAX. ABS. INTENSITY / VOLUME**2: 8.522947434
RIR: 0.800
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
27.81 42.96 3.2084 1 1 2 8
31.22 13.44 2.8649 0 4 0 2
31.42 13.13 2.8470 2 0 0 2
33.49 48.24 2.6758 0 1 3 4
34.22 55.90 2.6202 2 1 1 8
35.70 17.91 2.5153 1 3 2 8
36.26 33.27 2.4777 1 0 3 4
36.77 91.58 2.4445 1 4 1 8
38.24 4.18 2.3536 0 4 2 4
38.41 1.59 2.3437 2 0 2 4
40.40 12.08 2.2328 0 3 3 4
40.86 3.02 2.2084 0 5 1 4
41.02 29.41 2.2002 2 3 1 8
43.87 34.27 2.0639 0 0 4 2
44.88 76.16 2.0195 2 4 0 4
47.53 4.32 1.9131 1 1 4 8
48.14 4.08 1.8902 1 5 2 8
48.58 2.03 1.8741 1 4 3 8
51.92 7.46 1.7611 0 5 3 4
52.05 2.09 1.7569 2 3 3 8
52.44 6.63 1.7450 2 5 1 8
52.93 7.21 1.7300 1 3 4 8
53.75 5.00 1.7053 3 1 2 8
54.82 2.25 1.6746 0 4 4 4
54.95 7.15 1.6710 2 0 4 4
58.17 7.89 1.5858 1 0 5 4
58.75 4.09 1.5717 3 3 2 8
59.13 10.17 1.5624 3 0 3 4
59.48 14.37 1.5540 3 4 1 8
61.15 3.98 1.5156 0 3 5 4
62.74 3.80 1.4809 1 5 4 8
63.25 4.33 1.4702 1 7 2 8
64.56 100.00 1.4434 2 4 4 8
65.12 26.95 1.4325 0 8 0 2
65.58 27.05 1.4235 4 0 0 2
65.90 1.40 1.4173 2 1 5 8
66.45 8.16 1.4070 0 7 3 4
66.90 4.94 1.3987 2 7 1 8
67.54 1.19 1.3868 3 1 4 8
68.04 1.47 1.3780 3 5 2 8
70.26 3.55 1.3397 0 5 5 4
70.95 1.63 1.3284 1 1 6 8
71.97 2.13 1.3121 3 3 4 8
74.09 1.59 1.2796 2 8 0 4
74.42 1.77 1.2748 4 4 0 4
75.28 1.79 1.2623 1 3 6 8
75.68 7.15 1.2567 4 1 3 8
76.46 4.46 1.2457 3 0 5 4
76.87 5.92 1.2401 1 8 3 8
79.92 2.81 1.2003 4 3 3 8
80.52 1.42 1.1929 3 5 4 8
80.98 1.96 1.1873 3 7 2 8
81.85 5.40 1.1768 0 8 4 4
82.28 5.31 1.1718 4 0 4 4
83.69 1.58 1.1556 0 9 3 4
84.10 3.98 1.1510 2 9 1 8
88.10 1.11 1.1088 3 1 6 8
88.27 2.59 1.1071 4 5 3 8
89.73 1.13 1.0928 5 1 2 8
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.