Akermanite
Yang H, Hazen R M, Downs R T, Finger L W
Physics and Chemistry of Minerals 24 (1997) 510-519
Structural change associated with the incommensurate-normal phase transition
in akermanite, Ca2MgSi2O7, at high pressure
Sample: P = 0.0 GPa
_database_code_amcsd 0008030
7.8338 7.8338 5.0082 90 90 90 P-42_1m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3324 .1676 .5065 1.80  .0081  .0081  .0141  .0049  .0008  .0008
Mg       0     0     0 1.27  .0037  .0037  .0200      0      0      0
Si   .1396 .3604 .9358  .93  .0032  .0032  .0122  .0005  .0006  .0006
O1      .5     0 .1799  2.1  .0104  .0104  .0130 -.0072      0      0
O2   .1407 .3593 .2529  2.1  .0090  .0090  .0197  .0054 -.0011 -.0011
O3   .0798 .1862 .7856  2.3  .0152  .0057  .0164 -.0012  .0032 -.0014