Wadsleyite
Smyth J R, Kawamoto T, Jacobsen S D, Swope R J, Hervig R L, Holloway J R
American Mineralogist 82 (1997) 270-275
Crystal structure of monoclinic hydrous wadsleyite [beta-(Mg,Fe)2SiO4]
Note: occupancies of octahedral sites are estimates
_database_code_amcsd 0001873
5.6715 11.582 8.258 90 90.397 90 *I2/m
.25 .25 .25
atom      x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0      0      0  .92       .0242  .0117  .0247  .0006  .0033  .0035
Mg2   .0012    .25  .9709  .92       .0163  .0104  .0123      0  .0001      0
Mg3a    .25  .1222    .25  .77       .0139  .0175  .0137      0 -.0015      0
Mg3b    .75  .3783    .25  .83       .0149  .0167  .0130      0  .0019      0
Si1   .0002 .12123 .61558  .92       .0096  .0066  .0088  .0003      0 -.0004
Si2    .498   .137   .128 .024 .014
H1     .016    .25   .285 .355  .05
O1   -.0006    .25  .2256             .012   .016   .017      0      0      0
O2   -.0008    .25  .7166             .015  .0117  .0133      0  .0004      0
O3    .0007  .0124  .7436             .016  .0157   .016  .0002 -.0008 -.0001
O4a   .2601  .1242  .9946            .0134  .0100  .0166  .0004 -.0006  .0008
O4b   .7412  .3759  .9956            .0131  .0096  .0159  .0005  .0001      0