(Na0.97Mg0.03)(Mg0.43Fe3+0.17Si0.40)Si2O6 Posner E S, Konzett J, Frost D J, Downs R T, Yang H Acta Crystallographica E68 (2012) i18-i18 High-pressure synthetic (Na0.97Mg0.03)(Mg0.43Fe3+0.17Si0.40)Si2O6, with six-coordinated silicon, isostructural with P2/n omphacite Locality: synthetic _database_code_amcsd 0018651 9.4432 8.6457 5.2540 90 108.003 90 P2/n atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) NaM2 .75 .04980 .25 .94 .0129 .0162 .0106 .0093 0 .0002 0 MgM2 .75 .04980 .25 .06 .0129 .0162 .0106 .0093 0 .0002 0 NaM21 .75 .45601 .75 .0169 .0210 .0107 .0128 0 -.0037 0 MgM1 .75 .65310 .25 .86 .00495 .0060 .0045 .0037 0 .0006 0 FeM1 .75 .65310 .25 .14 .00495 .0060 .0045 .0037 0 .0006 0 SiM11 .75 .84745 .75 .80 .00855 .0094 .0085 .0073 0 .0020 0 FeM11 .75 .84745 .75 .20 .00855 .0094 .0085 .0073 0 .0020 0 Si1 .04344 .84714 .22988 .00748 .0081 .0074 .0065 -.0002 .0016 -.0005 Si2 .03811 .66398 .73666 .00731 .0075 .0076 .0065 .0000 .0018 .0004 O1 .86242 .8417 .1106 .0133 .0103 .0128 .0165 .0007 .0039 -.0023 O2 .85803 .6879 .6524 .0129 .0074 .0173 .0132 -.0013 .0018 .0035 O3 .1201 .0136 .3071 .0130 .0200 .0074 .0106 -.0014 .0033 -.0009 O4 .1012 .4949 .7949 .0141 .0188 .0104 .0132 .0006 .0050 .0002 O5 .10966 .7652 .0132 .0105 .0098 .0136 .0078 .0009 .0024 -.0018 O6 .09535 .74992 .5087 .0112 .0125 .0129 .0086 -.0017 .0037 .0017