Kornerupine Klaska R, Grew E S American Mineralogist 76 (1991) 1824-1835 The crystal structure of B-free kornerupine: Conditions favoring the incorporation of variable amounts of B through B = Si substitution in kornerupine Note: Sample is from the Sinyoni Claims in the Limpopo Belt near Beit Bridge, Zimbabwe _database_code_amcsd 0001414 16.117 13.728 6.749 90 90 90 Cmcm atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) FeX 0 0 0 .132 0.0368 0.0130 0.0132 0 0 -.0012 MgX 0 0 0 .16 0.0368 0.0130 0.0132 0 0 -.0012 Mg1 .1223 .1364 .25 .819 0.0203 0.0177 0.0137 0.0082 0 0 Fe1 .1223 .1364 .25 .100 0.0203 0.0177 0.0137 0.0082 0 0 Mg2 .5 .1447 .25 0.0090 0.0111 0.0116 0 0 0 Al3 .2161 0 0 0.0119 0.0126 0.0096 0 0 -.0007 Al4 .3145 .1401 .25 .82 0.0075 0.0088 0.0127 0.0005 0 0 Mg4 .3145 .1401 .25 .18 0.0075 0.0088 0.0127 0.0005 0 0 Al5 .4059 0 0 0.0113 0.0121 0.0097 0 0 -.0006 Si1 .4016 .3519 .25 0.0093 0.0109 0.0109 0.0007 0 0 Si2 .1825 .3317 .25 .44 0.0104 0.0115 0.0101 0.0004 0 0 Al2 .1825 .3317 .25 .56 0.0104 0.0115 0.0101 0.0004 0 0 Si3 0 .3404 .25 .68 0.0100 0.0114 0.0111 0 0 0 Al3 0 .3404 .25 .32 0.0100 0.0114 0.0111 0 0 0 H .5 .550 .141 .3 .024 O1 .2258 .0446 .25 0.0112 0.0128 0.0100 0.0005 0 0 O2 .4022 .0459 .25 0.0123 0.0113 0.0105 -.0002 0 0 O3 .4019 .2335 .25 0.0128 0.0114 0.0167 0.0007 0 0 O4 .1390 .0998 -.0529 0.0153 0.0144 0.0124 0.0031 -.0014 -.0003 O5 .2386 .2337 .25 0.0169 0.0212 0.0173 0.0054 0 0 O6 .3161 .0959 -.0437 0.0122 0.0152 0.0143 0.0008 -.0006 -.0015 O7 .0864 .2764 .25 0.0138 0.0119 0.0160 -.0017 0 0 O8 .5 .0883 -.0479 0.0120 0.0118 0.0130 0 0 -.0003 O9 0 .1159 .75 0.0099 0.0135 0.0273 0 0 0 O10 0 .0874 .25 .75 0.0158 0.0179 0.0232 0 0 0 F10 0 .0874 .25 .25 0.0158 0.0179 0.0232 0 0 0