Feruvite Grice J D, Ercit T S Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Feruvite 53776 Locality: Cuvier Island, New Zealand _database_code_amcsd 0018788 16.000 16.000 7.248 90 90 120 R3m atom x y z occ Uiso CaX 0 0 .2222 .62 .0177 NaX 0 0 .2222 .4 .0177 Fe2Y .12298 .06149 .63661 .42 .0095 MgY .12298 .06149 .63661 .4067 .0095 AlY .12298 .06149 .63661 .0267 .0095 Fe3Y .12298 .06149 .63661 .1467 .0095 AlZ .29832 .26167 .6113 .7867 .0067 MgZ .29832 .26167 .6113 .1367 .0067 Fe3Z .29832 .26167 .6113 .0467 .0067 TiZ .29832 .26167 .6113 .03 .0067 SiT .19151 .18985 0 .9617 .0060 BT .19151 .18985 0 .02 .0060 TiT .19151 .18985 0 .0167 .0060 B .1100 .2200 .4518 .0084 O1 0 0 .7812 .0190 O2 .0607 .1214 .4764 .0116 O3 .2660 .1330 .5125 .0141 O4 .0919 .1838 .0710 .0114 O5 .1814 .0907 .0902 .0111 O6 .1953 .1862 .7789 .0098 O7 .2842 .2835 .0789 .0105 O8 .2088 .2695 .4411 .0123 H1 0 0 .725 .60 .01 H3 .258 .129 .412 .01