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 5.6941 11.4597 8.2556 90 90 90 Imma atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mg1 0 0 0 .00647 .0068 .0049 .0077 0 0 .00015 Mg2 0 .25 .97035 .00547 .0064 .0048 .0052 0 0 0 Mg3 .25 .12650 .25 .00571 .0050 .0064 .0057 0 -.00072 0 Si 0 .12011 .61651 .00367 .00348 .00373 .00379 0 0 .00003 O1 0 .25 .21848 .00600 .0048 .0064 .0068 0 0 0 O2 0 .25 .71663 .00541 .0077 .0042 .0044 0 0 0 O3 0 .98934 .25571 .00579 .0068 .0055 .0050 0 0 .0011 O4 .26098 .12288 .99297 .00559 .0049 .0060 .0058 .0000 .00087 .0001