TAPP-tetragonal Mg1.76Fe3.37Y0.68Ge2.08O12
Levy D, Barbier J
American Mineralogist 85 (2000) 1053-1060
(Mg,Fe).85(Mg,Fe)4(Fe,Ge)3O12: A new tetragonal phase with its comparison
with garnet
_database_code_amcsd 0002471
6.8290 6.8290 18.994 90 90 90 I-42d
atom       x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ge1       .5     .5       0      .0118  .0124  .0124  .0104      0      0      0
Ge2   -.1654    .25    .125 .538 .0151  .0270  .0089  .0093      0      0 -.0002
Fe2   -.1654    .25    .125 .462 .0151  .0270  .0089  .0093      0      0 -.0002
Y1         0      0       0 .684 .0125  .0125  .0125  .0126      0      0      0
Mg1        0      0       0 .212 .0125  .0125  .0125  .0126      0      0      0
Fe2    .2559    .25    .125 .738 .0131  .0195  .0099  .0098      0      0 -.0019
Mg2    .2559    .25    .125 .262 .0131  .0195  .0099  .0098      0      0 -.0019
Fe3        0     .5 -.02037 .485 .0107  .0096  .0104  .0120 -.0006      0      0
Mg3        0     .5 -.02037 .515 .0107  .0096  .0104  .0120 -.0006      0      0
O1     .0116  .2896   .0555      .0149   .016   .017   .011   .000   .003   .004
O2    -.2615  .0246   .0936      .0201   .020   .019   .021  -.005  -.008   .009
O3     .4577  .2863   .0480      .0220   .037   .011   .016  -.001   .008  -.001