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: Di64
_database_code_amcsd 0007068
9.748 8.926 5.264 90 105.89 90 C2/c
atom       x      y      z  occ  Uiso
Ca2        0 .30176    .25 .916 .0114
Na2        0 .30176    .25 .066 .0114
Mg1        0 .90721    .25 .926 .0080
Ti3+1      0 .90721    .25 .074 .0080
Si    .28657 .09297 .22994 .980 .0068
B     .28657 .09297 .22994 .009 .0068
Ti4+  .28657 .09297 .22994 .006 .0068
O1    .11589 .08672  .1426      .0086
O2    .36110 .25001  .3175      .0105
O3    .35070  .0171  .9968      .0096