Vesuvianite Fitzgerald S, Rheingold A L, Leavens P B American Mineralogist 71 (1986) 1011-1014 Crystal structure of Cu-bearing vesuvianite _database_code_amcsd 0001044 15.532 15.532 11.776 90 90 90 *P4/nnc .25 .25 .25 atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Si1 -.25 .25 0 .755 .008 .008 .009 0 0 0 Al1 -.25 .25 0 .245 .008 .008 .009 0 0 0 Si2 -.0404 .1810 .3713 .008 .006 .007 .000 .000 .000 Si3 -.0832 -.1509 .3647 .011 .006 .008 .000 .000 .000 Ca1 -.25 .25 .25 .012 .007 .007 0 0 0 Ca2 -.1890 .0441 .3793 .007 .009 .008 .001 .000 .000 Ca3 .1012 .3197 .3889 .009 .010 .016 -.003 .005 -.004 Cac .25 .25 .6452 .14 .009 .009 .009 0 0 0 Mnc .25 .25 .6452 .34 .009 .009 .009 0 0 0 Cub .25 .25 .5588 .355 .007 .007 .019 0 0 0 Feb .25 .25 .5588 .145 .007 .007 .019 0 0 0 Al1 -.1127 .1214 .1266 .795 .007 .008 .007 .000 .001 .000 Mg -.1127 .1214 .1266 .07 .007 .008 .007 .000 .001 .000 Zn -.1127 .1214 .1266 .121 .007 .008 .007 .000 .001 .000 Ala 0 .5 .5 .007 .006 .009 .000 -.001 .000 O1 -.2200 .1727 .0858 .012 .006 .010 -.001 .0000 -.001 O2 -.1168 .1598 .2791 .011 .011 .009 -.001 -.002 .003 O3 -.0489 .2219 .0755 .009 .008 .008 .001 -.001 .0000 O4 -.0615 .1062 .4702 .008 .006 .010 .001 -.001 .001 O5 -.1704 .0146 .1785 .011 .013 .010 .003 .002 -.001 O6 .1188 .2284 .5582 .021 .011 .014 -.002 -.005 .003 O7 .0564 .1738 .3222 .008 .013 .013 .001 .001 .000 O8 .0603 .4094 .5670 .010 .008 .011 -.001 -.003 .000 O9 .1448 -.1448 .25 .5 .013 .013 .007 -.002 -.0000 .000 OH10 .25 .25 .3635 .25 .007 .007 .015 0 0 0 F10 .25 .25 .3635 .533 .007 .007 .015 0 0 0 OH11 -.0039 .0619 .1363 .007 .010 .007 .000 -.001 -.002