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: Di80
_database_code_amcsd 0007069
9.756 8.929 5.269 90 106.06 90 C2/c
atom       x      y      z  occ  Uiso
Ca2        0 .30201    .25 .820 .0133
Na2        0 .30201    .25 .168 .0133
Mg1        0 .90592    .25 .846 .0085
Ti4+1      0 .90592    .25 .118 .0085
Ti3+1      0 .90592    .25 .058 .0085
Si    .28730 .09269 .23103 .941 .0077
Ti4+  .28730 .09269 .23103 .048 .0077
B     .28730 .09269 .23103 .011 .0077
O1     .1156  .0861  .1422      .0089
O2     .3610  .2505  .3167      .0116
O3     .3508  .0160  .9990      .0104