American Mineralogist Crystal Structure Database

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Diopside
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Tribaudino M, Nestola F, Ohashi H
European Journal of Mineralogy 17 (2005) 297-304
High temperature single crystal investigation in a clinopyroxene of
composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
Sample: T = 400 C, 2-theta <= 50
Note: Sample is exactly intermediate between diopside and kosmochlor
_database_code_amcsd 0007096
9.682 8.874 5.274 90 106.53 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)
NaM2     0  .3015   .25  .5 .0254   .033   .019   .019      0    .000       0
CaM2     0  .3015   .25  .5 .0254   .033   .019   .019      0    .000       0
CrM1     0  .9061   .25  .5 .0122   .013   .013   .010      0   .0027       0
MgM1     0  .9061   .25  .5 .0122   .013   .013   .010      0   .0027       0
Si   .2886  .0922 .2302     .0111  .0108   .013  .0098 -.0003   .0036  -.0012
O1   .1146  .0812 .1393      .015   .011   .021   .014  -.002    .004   -.001
O2   .3595  .2524 .3077      .020   .025   .018   .017  -.005    .006   -.003
O3   .3507  .0124 .0008      .014   .014   .018   .014   .002    .007   -.007
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