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American Mineralogist Crystal Structure Database

1 matching records for this search.

NaBaScSi2O7
  
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E
The Canadian Mineralogist 48 (2010) 51-68
The crystal structures of three new complex silicates of scandium
Locality: synthetic
_database_code_amcsd 0006316
6.845 5.626 8.819 90 109.33 90 P2_1/m
atom      x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Na    .2663     .25  .99385  .0302  .0169  .0464  .0211      .0  -.0020      .0
Ba   .70493     .75 .536059 .00812 .00791 .00683 .00910      .0  .00210      .0
Sc   .70065     .25  .26630 .00465 .00506 .00420 .00463      .0  .00155      .0
Si1  .94741     .25  .68026 .00502  .0046  .0048  .0056      .0   .0016      .0
Si2  .63905     .25  .84265 .00498  .0051  .0050  .0049      .0   .0017      .0
O1    .0806   .4860  .68648  .0150  .0146  .0153  .0131  -.0094   .0021   .0007
O2    .7386     .25   .5235  .0068  .0063  .0077  .0058      .0   .0015      .0
O3    .8824     .25   .8456  .0106  .0073  .0183  .0064      .0   .0027      .0
O4    .6361     .25   .0234  .0110  .0130  .0155  .0055      .0   .0044      .0
O5    .5330   .0097  .74776  .0108  .0143  .0089  .0094  -.0054   .0044  -.0028


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