Ca4Ge4O12 Vinograd V L, Winkler B, Wilson D J, Putnis A, Gale J D Physics and Chemistry of Minerals 33 (2006) 533-544 Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: DFT _database_code_amcsd 0009046 12.679 12.679 12.527 90 90 90 *I4_1/a .5 .25 .125 atom x y z Ca1 .1243 .0045 .2527 Ca2 0 .25 .6225 Ca3 0 0 .5 Ge1 0 .25 3/8 Ge2 0 .25 7/8 Ge3 .1265 .0147 .7567 Ge4 0 0 0 O1 .0297 .0657 .6704 O2 .0417 .9562 .8601 O3 .2243 .1105 .8068 O4 .2123 .9211 .7004 O5 .9331 .1663 .4674 O6 .8973 .2090 .7836