Diopside
Harlow G E
American Mineralogist 81 (1996) 632-638
Structure refinement of a natural K-rich diopside: The effect of K on the
average structure
_database_code_amcsd 0001796
9.7476 8.9478 5.2622 90 106.056 90 C2/c
atom      x      y     z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0  .9069   .25 .885       .0072  .0060  .0074      0  .0003      0
Fe1       0  .9069   .25 .023       .0072  .0060  .0074      0  .0003      0
Al1       0  .9069   .25 .021       .0072  .0060  .0074      0  .0003      0
Cr1       0  .9069   .25 .071       .0072  .0060  .0074      0  .0003      0
Ca2       0  .3008   .25 .798       .0102  .0093  .0069      0 -.0020      0
K2        0  .3008   .25 .073       .0102  .0093  .0069      0 -.0020      0
Na2       0  .3008   .25 .023       .0102  .0093  .0069      0 -.0020      0
Mg2'      0   .264   .25 .070  3.9
Fe2'      0   .264   .25 .036  3.9
Si   .28726 .09254 .2300 .996       .0079  .0064  .0089 -.0003  .0023 -.0006
Al   .28726 .09254 .2300 .004       .0079  .0064  .0089 -.0003  .0023 -.0006
O1    .1154  .0861 .1415            .0089   .012   .012  .0006  .0023 -.0000
O2    .3621  .2498 .3193             .018   .009   .019 -.0044  .0073 -.0027
O3    .3502  .0182 .9951            .0078   .015   .011 -.0002  .0025 -.0045