Diopside Nazzareni S, Molin G, Skogby H, Dal Negro A European Journal of Mineralogy 16 (2004) 443-449 Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides Sample: Di81a _database_code_amcsd 0007070 9.747 8.922 5.278 90 106.10 90 C2/c atom x y z occ Uiso Ca2 0 .30170 .25 .872 .0108 Na2 0 .30170 .25 .118 .0108 Mg1 0 .90647 .25 .906 .0069 Ti3+1 0 .90647 .25 .078 .0069 Ti4+1 0 .90647 .25 .022 .0069 Si .28686 .09291 .23000 .970 .0060 Ti4+ .28686 .09291 .23000 .019 .0060 B .28686 .09291 .23000 .014 .0060 O1 .11546 .0863 .1420 .0072 O2 .36119 .2505 .3168 .0096 O3 .35071 .0168 .9974 .0090