Akermanite
Kusaka K, Ohmasa M, Hagiya K, Iishi K, Haga N
Mineralogical Journal 20 (1998) 47-58
On variety of the Ca coordination in the incommensurate structure of
synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7
Note: Sample is synthetic, this is the structure obtained by refining the incommensurate
structure
_database_code_amcsd 0014432
7.8679 7.8679 5.0144 90 90 90 P-42_1m
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3307 .1693 .5061      .0064  .0064  .0070  .0033  .0008 -.0008
Mg       0     0     0 .554 .0031  .0031  .0095      0      0      0
Fe       0     0     0 .446 .0031  .0031  .0095      0      0      0
Si   .1384 .3616 .9383      .0027  .0027  .0049  .0007  .0002 -.0002
O1       0    .5  .825      .0133  .0133  .0050  .0104      0      0
O2   .1390 .3610 .2570      .0098  .0098  .0041  .0053 -.0005  .0005
O3   .0795 .1898 .7891      .0122  .0038  .0099 -.0029  .0033 -.0008