Jeffbenite
Finger L W, Conrad P G
American Mineralogist 85 (2000) 1804-1807
The crystal structure of "Tetragonal Almandine-Pyrope Phase" (TAPP):
A reexamination
_database_code_amcsd 0002596
6.5269 6.5269 18.1835 90 90 90 I-42d
atom      x     y       z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si1      .5    .5       0      .00217 .00217 .00037       0       0       0
Si2  -.1499   .25    .125 .955 .00293 .00247 .00031       0       0       0
Al2  -.1499   .25    .125 .045 .00293 .00247 .00031       0       0       0
Fe1       0     0       0 .210 .00411 .00411 .00073       0       0       0
Mg1       0     0       0 .790 .00411 .00411 .00073       0       0       0
Fe2   .2599   .25    .125 .074 .00346 .00305 .00032       0       0       0
Al2   .2599   .25    .125 .926 .00346 .00305 .00032       0       0       0
Fe3       0    .5 -.02296 .066 .00346 .00299 .00042  .00024       0       0
Mg3       0    .5 -.02296 .934 .00346 .00299 .00042  .00024       0       0
O1    .0187 .2809   .0576      .00276 .00387 .00048 -.00065  .00030  .00030
O2   -.2614 .0372   .1013      .00499 .00335 .00058 -.00041 -.00011 -.00011
O3    .4368 .2961   .0468      .00487 .00282 .00049  .00000  .00011  .00011