CaCoSi2O6
Mantovani L, Tribaudino M, Mezzadri F, Calestani G, Bromiley G
American Mineralogist 98 (2013) 1241-1252
The structure of (Ca,Co)CoSi2O6 pyroxenes and the Ca-M2+
substitution in (Ca,M2+)M2+Si2O6 pyroxenes (M2+=Co,Fe,Mg)
Sample: Ca0.4Co0.6
Locality: synthetic
_database_code_amcsd 0019913
9.747 8.982 5.249 90 107.46 90 C2/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaM2      0  .2966  .2500 .40  .0118  .0136   .009  .0108   .000 -.0001   .000
CoM2      0  .2580  .2500 .60  .0144  .0141  .0122  .0149   .000  .0013   .000
CoM1      0 .90516  .2500     .00975  .0107  .0083  .0105   .000 .00360   .000
Si   .29396 .08997 .24760     .00976  .0102  .0071  .0128 -.0013  .0047 -.0011
O1    .1203 .08864  .1501      .0105  .0111  .0097  .0109  .0009  .0036  .0001
O2    .3699  .2457  .3474      .0186  .0215  .0112  .0290 -.0074  .0167 -.0080
O3   .35286  .0231 1.0067      .0200  .0102  .0290  .0202  .0011  .0036 -.0117