American Mineralogist Crystal Structure Database

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Diopside
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Bertolo S, Nimis P, Dal Negro A
Download am/vol79/AM79_668.pdf
American Mineralogist 79 (1994) 668-674
Low-Ca augite from experimental alkali basalt at 18 kbar: Structural variation
near the miscibility gap
Atomic parameters from ICSD
_database_code_amcsd 0001667
9.689 8.824 5.280 90 107.60 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)
Ca       0 .2874   .25 .774       .0208  .0325  .0196      0  .0020      0
Na       0 .2874   .25 .226       .0208  .0325  .0196      0  .0020      0
Mg       0 .9056   .25 .901       .0130  .0106  .0162      0  .0036      0
Fe1      0 .9056   .25 .099       .0130  .0106  .0162      0  .0036      0
Si   .2917 .0918 .2414            .0133  .0110  .0207 -.0002  .0056 -.0012
O1   .1154 .0868 .1413            .0143  .0170  .0217  .0019  .0049 -.0010
O2   .3679 .2522 .3329            .0269  .0145  .0334 -.0042  .0143 -.0064
O3   .3534 .0174 .0088            .0147  .0368  .0366 -.0008  .0059 -.0191
Fe2      0 .2229   .25 .011 .025
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