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 = 1.25 GPa
_database_code_amcsd 0008032
7.8071 7.8071 4.9821 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 .5065 1.34  .0057  .0057  .0127  .0025  .0005  .0005
Mg       0     0     0  .90  .0022  .0022  .0166      0      0      0
Si   .1398 .3602 .9354  .71  .0032  .0032  .0057  .0009  .0002  .0002
O1      .5     0 .1857  1.4  .0070  .0070  .0086 -.0034      0      0
O2   .1402 .3598 .2570  1.7  .0060  .0060  .0206  .0025 -.0018 -.0018
O3   .0814 .1849 .7828  1.6  .0090  .0038  .0164 -.0007  .0040 -.0002