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
5.6890 11.4830 8.2527 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 .00804  .0093  .0049  .0099      0       0   .0009
Mg2       0    .25 .97013 .00584  .0073  .0048  .0054      0       0       0
Mg3     .25 .12516    .25 .00660  .0054  .0084  .0060      0 -.00077       0
Si        0 .12033 .61619 .00460 .00479 .00470 .00432      0       0 -.00017
O1        0    .25 .21995 .00702  .0051  .0084  .0076      0       0       0
O2        0    .25 .71649 .00622  .0085  .0061  .0040      0       0       0
O3        0 .98863 .25578 .00663  .0068  .0074  .0058      0       0   .0007
O4   .26092 .12317 .99359 .00615  .0056  .0067  .0062  .0003  .00071   .0003