American Mineralogist Crystal Structure Database

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Shortite
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Dickens B, Hyman A, Brown W E
 
Journal of Research of the National Bureau of Standards - Physics and Chemistry 75A (1971) 129-135
Crystal structure of Ca2Na2(CO3)3 (shortite)
Note: Y- and z-coordinates of Ca adjusted to match reported bond lengths
_database_code_amcsd 0013288
4.947 11.032 7.108 90 90 90 Amm2
atom     x     y     z  U(1,1)  U(2,2)  U(3,3) U(1,2) U(1,3)   U(2,3)
Ca      .5 .2165 .9960 .008232 .006079 .007346      0      0 -.000127
Na1      0     0 .9263 .016085 .012285 .019504      0      0        0
Na2     .5     0 .6122 .014565 .008739 .014565      0      0  .000000
C1       0 .2961 .1697 .007219 .010639 .008106      0      0 -.000507
O1       0 .1985 .0742 .013678 .017098 .018238      0      0 -.010259
O2   .2261 .3456 .2152 .007472 .012918 .013678      0      0 -.000253
C2      .5     0 .2253 .013932 .007346 .008106      0      0        0
O3      .5     0 .0415 .021531 .007599 .007726      0      0        0
O4      .5 .1013 .3111 .026597 .007219 .012538      0      0 -.002913
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