Grandidierite Dzikowski T J, Groat L A, Grew E S American Mineralogist 92 (2007) 863-872 The geometric effects of VFe2+ for VMg substitution on the crystal structures of the grandidierite-ominelite series Sample: G12 Locality: Zimbabwe _database_code_amcsd 0004351 10.3347 11.0034 5.7627 90 90 90 Pbnm atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mg .09348 .21897 .25 .726 .0081 .0097 .0077 .0069 -.0017 0 0 Fe .09348 .21897 .25 .274 .0081 .0097 .0077 .0069 -.0017 0 0 Al1 0 0 0 .0060 .0064 .0065 .0049 .0002 -.0000 -.0001 Al2 .5 0 0 .0060 .0056 .0076 .0047 -.0000 .0002 .0005 Al3 .22641 .44796 .25 .0060 .0057 .0071 .0053 .0000 0 0 B .2510 .0002 .75 .0080 .008 .009 .007 .0001 0 0 Si .43394 .26340 .25 .0062 .0071 .0060 .0055 -.0001 0 0 O1 .2758 .2892 .25 .0093 .0074 .0075 .0129 -.0001 0 0 O2 .1183 .0214 .25 .0069 .0072 .0080 .0054 .0001 0 0 O3 .1209 -.0037 .75 .0075 .0063 .0102 .0061 .0005 0 0 O4 .4738 .1203 .25 .0079 .0104 .0072 .0064 .0009 0 0 O5 .5464 .0992 .75 .0069 .0072 .0073 .0061 -.0002 0 0 O6 -.00728 .1707 -.0228 .0084 .0107 .0068 .0076 .0004 -.0015 .0002 O7 .1807 .50113 -.0455 .0087 .0067 .0133 .0060 .0001 .0001 .0010