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: G1 Locality: Karibe area, Zimbabwe _database_code_amcsd 0004352 10.3360 11.0148 5.7657 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 .09387 .21896 .25 .666 .0066 .0078 .0062 .0059 -.0015 0 0 Fe .09387 .21896 .25 .334 .0066 .0078 .0062 .0059 -.0015 0 0 Al1 0 0 0 .0048 .0050 .0055 .0039 .0001 -.0002 .0001 Al2 .5 0 0 .0050 .0041 .0069 .0040 -.0001 .0003 .0006 Al3 .22643 .44807 .25 .0048 .0040 .0061 .0042 -.0003 0 0 B .2512 .0003 .75 .0066 .0070 .0068 .0059 .0007 0 0 Si .43406 .26339 .25 .0048 .0052 .0047 .0045 -.0000 0 0 O1 .2761 .2891 .25 .0083 .0057 .0077 .0115 -.0001 0 0 O2 .1182 .0214 .25 .0059 .0052 .0077 .0046 .0007 0 0 O3 .1210 -.0036 .75 .0064 .0044 .0100 .0049 -.0001 0 0 O4 .4739 .1205 .25 .0067 .0089 .0058 .0055 .0011 0 0 O5 .5465 .0988 .75 .0060 .0059 .0066 .0053 -.0005 0 0 O6 -.00724 .17053 -.0228 .0073 .0096 .0063 .0059 -.0001 -.0018 .0003 O7 .18054 .50112 -.0452 .0077 .0053 .0128 .0050 .0004 .0002 .0007