Ringwoodite
Ye Y, Brown D A, Smyth J R, Panero W R, Jacobsen S D, Chang Y Y, Townsend J P,
Thomas S M, Hauri E H, Dera P, Frost D J
American Mineralogist 97 (2012) 573-582
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
Locality: synthetic
Note: at room T after heating to T = 635 K, split Si model
_database_code_amcsd 0018840
8.0947 8.0947 8.0947 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg      .5    .5    .5 .94  .0086  .0086  .0086 -.0012 -.0012 -.0012
Si1   .125  .125  .125 .95  .0100  .0100  .0100      0      0      0
Si2     .5    .5     0 .01
O    .2441 .2441 .2441      .0098  .0098  .0098  .0008  .0008  .0008