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 = 1.37 GPa
_database_code_amcsd 0008033
7.8046 7.8046 4.9772 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   .3329 .1671 .5056 1.37  .0056  .0056  .0137  .0024  .0005  .0005
Mg       0     0     0  .98  .0027  .0027  .0165      0      0      0
Si   .1403 .3597 .9343  .75  .0034  .0034  .0062  .0006  .0003  .0003
O1      .5     0 .1839  1.5  .0062  .0062  .0156 -.0049      0      0
O2   .1404 .3596 .2551  1.7  .0069  .0069  .0184  .0020 -.0012 -.0012
O3   .0813 .1852 .7834  1.8  .0093  .0025  .0136 -.0006  .0030 -.0004