American Mineralogist Crystal Structure Database

1 matching records for this search.

Nb O4 Se3 Sm3
 
Meerschaut A, Boyer C, Lafond A, Cario L, Rouxel J
 
Journal of Solid State Chemistry 136 (1998) 122-126
Synthesis and structure determination of Sm3 Nb Se3 O4
_cod_database_code 1009067
_database_code_amcsd 0016928
6.8943 7.7529 14.7644 90 90 90 Pnma
atom      x       y      z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Sm1  .78130     .25 .58276  .0050  .0059  .0059       0 .00038       0
Sm2  .21486 -.00680 .65383  .0055  .0065  .0084 -.00004 .00039 -.00025
Nb1  .82588     .75 .56850  .0059  .0068  .0047       0  .0004       0
Se1  .49523     .25 .72884  .0055  .0096  .0070       0 -.0008       0
Se2  .55039     .75 .70307  .0057  .0086  .0074       0 -.0004       0
Se3      .5       0     .5  .0190  .0371  .0107  -.0208  .0069  -.0101
O1    .8575     .75  .4394   .009   .004   .005       0  -.002       0
O2    .8854  -.0287  .6132   .006   .014   .017    .001  -.004    .000
O3    .1323     .75  .5694   .004   .010   .011       0  -.001       0
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