Grossular Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L Physics and Chemistry of Minerals 22 (1995) 159-169 Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample VOL Locality: Voltri, Liguria, Italy _database_code_amcsd 0007905 11.787 11.787 11.787 90 90 90 Ia-3d atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) CaX .125 0 .25 .713 .60 .0007 .0013 .0013 0 0 .0000 Fe2+X .125 0 .25 .243 .60 .0007 .0013 .0013 0 0 .0000 Mn2+X .125 0 .25 .013 .60 .0007 .0013 .0013 0 0 .0000 MgX .125 0 .25 .030 .60 .0007 .0013 .0013 0 0 .0000 AlY 0 0 0 .935 .45 .0008 .0008 .0008 .0000 .0000 .0000 Fe3+Y 0 0 0 .060 .45 .0008 .0008 .0008 .0000 .0000 .0000 TiY 0 0 0 .005 .45 .0008 .0008 .0008 .0000 .0000 .0000 SiZ .375 0 .25 .34 .0008 .0005 .0005 0 0 0 O .0372 .0462 .6521 .52 .0012 .0009 .0007 .0001 -.0001 .0001