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: Di73 _database_code_amcsd 0007072 9.765 8.929 5.284 90 106.19 90 C2/c atom x y z occ Uiso Ca2 0 .30145 .25 .836 .0138 Na2 0 .30145 .25 .140 .0138 Mg1 0 .90640 .25 .892 .0097 Ti3+1 0 .90640 .25 .062 .0097 Ti4+1 0 .90640 .25 .056 .0097 Si .28714 .09287 .23021 .944 .0087 Ti4+ .28714 .09287 .23021 .044 .0087 B .28714 .09287 .23021 .012 .0087 O1 .1156 .0867 .1418 .0103 O2 .3613 .2511 .3173 .0132 O3 .3510 .0166 .9981 .0127