Kornerupine Moore P B, Sen Gupta P K, Schlemper E O American Mineralogist 74 (1989) 642-655 Kornerupine: Chemical crystallography, comparative crystallography, and its cation relation to olivine and to Ni2In intermetallic _database_code_amcsd 0001247 16.041 13.746 6.715 90 90 90 Cmcm atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) MgX 0 0 0 .374 0.0641 0.0162 0.0138 0 0 -.0002 Mg1 .12176 .14031 .25 0.0119 0.0086 0.0066 .0022 0 0 Mg2 .5 .14563 .25 0.0039 0.0045 0.0110 0 0 0 Al3 .21536 0 0 0.0070 0.0061 0.0025 0 0 -.0007 Al4 .31366 .14182 .25 .810 0.0076 0.0077 0.0094 -.0003 0 0 Fe4 .31366 .14182 .25 .190 0.0076 0.0077 0.0094 -.0003 0 0 Al5 .40756 0 0 0.0059 0.0056 0.0034 0 0 -.0006 Si1 .40202 .35299 .25 0.0042 0.0052 0.0040 .0010 0 0 Si2 .17842 .33375 .25 .766 0.0160 0.0056 0.0035 -.0016 0 0 Al2 .17842 .33375 .25 .234 0.0160 0.0056 0.0035 -.0016 0 0 Si3 0 .34253 .25 .572 0.0036 0.0067 0.0032 0 0 0 B3 0 .34253 .25 .428 0.0036 0.0067 0.0032 0 0 0 O1 .2240 .0448 .25 0.0083 0.0069 0.0033 .0003 0 0 O2 .40367 .0460 .25 0.0072 0.0062 0.0035 -.0008 0 0 O3 .40283 .2355 .25 0.0089 0.0061 0.0111 .0017 0 0 O4 .13818 .09959 -.0515 0.0106 0.0097 0.0042 .0041 -.0015 .0005 O5 .2338 .2358 .25 0.0219 0.0135 0.0103 -.0001 0 0 O6 .31671 .09479 -.0471 0.0072 0.0084 0.0072 .0007 -.0004 .0000 O7 .0824 .2821 .25 0.0146 0.0158 0.0085 -.0086 0 0 O8 .5 .0885 -.0541 0.0053 0.0058 0.0096 0 0 .0006 O9 0 .1128 -.25 0.0048 0.0128 0.0226 0 0 0 OH10 0 .0882 .25 0.0083 0.0131 0.0177 0 0 0