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: ~150 wt ppm H2O
_database_code_amcsd 0003663
CELL PARAMETERS: 5.6998 11.4383 8.2573 90.000 90.000 90.000
SPACE GROUP: Imma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 538.343
Density (g/cm3): 3.471
MAX. ABS. INTENSITY / VOLUME**2: 8.662399983
RIR: 0.813
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
27.80 42.83 3.2093 1 1 2 8
31.28 13.05 2.8596 0 4 0 2
31.39 13.07 2.8499 2 0 0 2
33.49 48.01 2.6760 0 1 3 4
34.19 55.47 2.6222 2 1 1 8
35.72 17.68 2.5139 1 3 2 8
36.24 32.62 2.4786 1 0 3 4
36.81 91.10 2.4416 1 4 1 8
38.29 4.01 2.3508 0 4 2 4
38.38 1.57 2.3454 2 0 2 4
40.42 12.08 2.2317 0 3 3 4
40.94 3.14 2.2046 0 5 1 4
41.02 28.35 2.2002 2 3 1 8
43.86 33.91 2.0643 0 0 4 2
44.90 75.84 2.0186 2 4 0 4
47.51 4.50 1.9136 1 1 4 8
48.20 3.88 1.8880 1 5 2 8
48.61 1.92 1.8729 1 4 3 8
51.98 7.53 1.7593 0 5 3 4
52.05 1.97 1.7571 2 3 3 8
52.48 6.94 1.7438 2 5 1 8
52.94 7.25 1.7297 1 3 4 8
53.71 4.99 1.7066 3 1 2 8
54.85 2.25 1.6738 0 4 4 4
54.92 7.13 1.6718 2 0 4 4
58.16 7.98 1.5862 1 0 5 4
58.72 4.06 1.5724 3 3 2 8
59.08 10.24 1.5636 3 0 3 4
59.47 14.35 1.5542 3 4 1 8
61.16 4.00 1.5154 0 3 5 4
62.78 3.78 1.4800 1 5 4 8
63.35 4.43 1.4681 1 7 2 8
64.57 100.00 1.4433 2 4 4 8
65.26 26.81 1.4298 0 8 0 2
65.51 27.26 1.4250 4 0 0 2
65.87 1.41 1.4179 2 1 5 8
66.55 7.86 1.4051 0 7 3 4
66.98 4.76 1.3971 2 7 1 8
67.50 1.27 1.3876 3 1 4 8
68.05 1.41 1.3778 3 5 2 8
70.30 3.65 1.3390 0 5 5 4
70.93 1.62 1.3287 1 1 6 8
71.94 2.14 1.3125 3 3 4 8
74.20 1.63 1.2780 2 8 0 4
74.38 1.72 1.2754 4 4 0 4
75.28 1.84 1.2623 1 3 6 8
75.60 7.26 1.2578 4 1 3 8
76.41 4.59 1.2464 3 0 5 4
76.99 5.91 1.2385 1 8 3 8
79.87 2.83 1.2010 4 3 3 8
80.52 1.42 1.1929 3 5 4 8
81.04 2.01 1.1866 3 7 2 8
81.97 5.48 1.1754 0 8 4 4
82.20 5.40 1.1727 4 0 4 4
83.84 1.66 1.1539 0 9 3 4
84.24 4.04 1.1494 2 9 1 8
88.05 1.12 1.1093 3 1 6 8
88.25 2.65 1.1073 4 5 3 8
89.63 1.15 1.0938 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.