Vesuvianite Ohkawa M, Yoshiasa A, Takeno S American Mineralogist 77 (1992) 945-953 Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #3 from Jinmu _database_code_amcsd 0001539 15.583 15.583 11.801 90 90 90 *P4/nnc .25 .25 .25 atom x y z occ Ca1 -.25 .25 .25 Ca2 -.1893 .0441 .3795 Ca3 -.1003 -.1796 .8884 CaC .75 .75 .1410 .5 FeB .75 .75 .0555 .5 Al -.1123 .1209 .1267 .87 Fe -.1123 .1209 .1267 .13 AlA 0 0 0 Si1 .75 .25 0 Si2 -.1806 .0407 .8711 Si3 -.0827 -.1506 .3645 O1 -.2200 .1728 .0862 O2 -.1175 .1598 .2792 O3 -.0481 .2219 .0762 O4 -.0619 .1064 .4699 O5 -.1703 .0150 .1794 O6 -.1179 -.2720 .0583 O7 .0557 .1726 .3206 O8 -.0608 -.0906 .0664 O9 -.1447 -.1447 .25 OH10 .75 .75 .8625 .09 F10 .75 .75 .8625 .91 OH11 -.0035 .0616 .1360 .46 F11 -.0035 .0616 .1360 .54