Pyrope Gibbs G V, Smith J V American Mineralogist 50 (1965) 2023-2039 Refinement of the crystal structure of synthetic pyrope refinement D, note that temperature factors reported for Si were labelled incorrectly in the paper _database_code_amcsd 0000142 11.459 11.459 11.459 90 90 90 Ia-3d atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Al 0 0 0 .00060 .00060 .00060 .00004 .00004 .00004 Mg .125 0 .25 .00102 .00167 .00167 0 0 .00041 Si .375 0 .25 .00056 .00046 .00046 0 0 0 O .03284 .05014 .65330 .00099 .00103 .00078 .00013 -.00014 -.00009