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 = 0.80 GPa
_database_code_amcsd 0008031
7.8154 7.8154 4.9919 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   .3327 .1673 .5063 1.53  .0068  .0068  .0127  .0035  .0009  .0009
Mg       0     0     0  .95  .0027  .0027  .0157      0      0      0
Si   .1398 .3602 .9354  .79  .0032  .0032  .0082  .0005  .0005  .0005
O1      .5     0 .1827  1.8  .0096  .0096  .0060 -.0033      0      0
O2   .1403 .3597 .2561  1.8  .0081  .0081  .0136  .0022 -.0014 -.0014
O3   .0813 .1852 .7834  1.8  .0114  .0059  .0111 -.0021  .0037 -.0010