Grossular
Allen F M, Buseck P R
American Mineralogist 73 (1988) 568-584
XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
Sample: after heating
Note: Data was obtained from the ICSD
_database_code_amcsd 0001148
11.837 11.840 11.836 90.01 89.98 90 I-1
atom     x     y      z occ  Uiso
Ca1   .125     0    .25 .85 .0076
Fe1   .125     0    .25 .15 .0076
Ca2  .6249     0    .25 .86 .0075
Fe2  .6249     0    .25 .14 .0075
Ca3  .0001 .2499  .1251 .84 .0076
Fe3  .0001 .2499  .1251 .16 .0076
Ca4     .5   .75  .1251 .81 .0078
Fe4     .5   .75  .1251 .19 .0078
Ca5    .25  .125  .0001 .78 .0078
Fe5    .25  .125  .0001 .22 .0078
Ca6    .25  .625  .0001 .81 .0076
Fe6    .25  .625  .0001 .19 .0076
Al1      0     0      0 .88 .0064
Fe7      0     0      0 .12 .0064
Al2     .5     0      0 .87 .0067
Fe8     .5     0      0 .13 .0067
Al3    .25   .25    .25  .9 .0061
Fe9    .25   .25    .25  .1 .0061
Al4    .75   .25    .25 .91 .0061
Fe10   .75   .25    .25 .09 .0061
Al5      0    .5      0 .87 .0068
Fe11     0    .5      0 .13 .0068
Al6     .5    .5      0  .9  .006
Fe12    .5    .5      0  .1  .006
Al7    .25   .75    .25 .89 .0061
Fe13   .25   .75    .25 .11 .0061
Al8    .75   .75    .25  .9 .0057
Fe14   .75   .75    .25  .1 .0057
Si1  .3751     0    .25      .006
Si2  .8751     0  .2501      .006
Si3  .0001 .7499  .1251      .006
Si4  .5001 .2499  .1251      .006
Si5    .25 .3751 -.0001     .0058
Si6  .7501  .125  .0001     .0058
O1   .5384 .5457  .1516     .0078
O2   .0382 .4544  .1515     .0075
O3   .9017 .2957  .2878     .0079
O4   .4017 .7042  .2883     .0081
O5   .6516 .0382  .0457     .0077
O6   .1516 .9619  .0461     .0081
O7   .7041 .7119  .0981     .0081
O8   .2042 .2882  .0982     .0083
O9   .0458 .6515  .0384     .0079
O10   .546 .3484  .0383     .0076
O11  .2118 .5985  .2041     .0076
O12  .7116 .4014  .2041     .0078
O13  .5382 .4541  .3482     .0082
O14   .038 .5458  .3483      .008
O15  .0983 .2043  .2879     .0082
O16  .5983 .7958  .2878      .008
O17  .8483 .5383  .0454     .0082
O18  .3481 .4618  .0456      .008
O19  .2957 .7883  .0984     .0084
O20  .7958 .2118  .0983     .0079
O21  .4542 .1515  .0381     .0081
O22  .9542 .8484   .038      .008
O23  .7115 .5984  .2958     .0074
O24  .2119 .4016  .2959     .0078