American Mineralogist Crystal Structure Database

1 matching records for this search.

Andersonite
Download hom/andersonite.pdf
Coda A, Della Giusta A, Tazzoli V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=1496
Acta Crystallographica B37 (1981) 1496-1500
The structure of synthetic andersonite, Na2Ca[UO2(CO3)3].x(H2O) (x~5.6)
Note: anisotropic displacement factors are from ICSD
Note: B(2,2) for C2 changed to reproduce Biso and make positive definite
_database_code_amcsd 0009746
17.902 17.902 23.734 90 90 120 R-3m
atom      x       y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Na1   .1842  -.1842  .1622  2.9  .0030  .0030  .0013  .0015  .0002  -.0002
Na2   .1271  -.1271  .8912  3.6  .0034  .0034  .0015  .0009 -.0003   .0003
Ca    .5442  -.5442  .0566  1.9  .0019  .0019  .0008  .0008 -.0001   .0001
U    .22372 -.22372 .01171 1.76 .00163 .00163 .00086 .00064 .00002 -.00002
C1     .255   -.255   .901  4.0  .0034  .0034  .0019  .0006  .0005  -.0005
C2     .349    .421   .066  2.0  .0023  .0017  .0010  .0009  .0001  -.0006
O1    .2621  -.2621  .8471  2.3  .0035  .0035  .0002  .0018 -.0002   .0002
O2    .5061   .3134  .0708  2.6  .0034  .0025  .0011  .0017 -.0011  -.0002
O3    .2706   .3857  .0859  2.3  .0020  .0030  .0007  .0009  .0005   .0005
O4    .3664   .4594  .0193  2.6  .0026  .0027  .0011  .0011  .0008   .0016
O5    .4067   .4133  .0948  2.5  .0031  .0045  .0008  .0032  .0003   .0003
O6    .2746  -.2746  .0489  3.3  .0030  .0030  .0015  .0011 -.0008   .0008
O7    .1735  -.1735  .9757  2.8  .0029  .0029  .0013  .0017 -.0002   .0002
Wat1  .5605  -.5605  .1622  2.3  .0025  .0025  .0005  .0006 -.0001   .0001
Wat2  .4093  -.4093  .1379  2.2  .0029  .0029  .0006  .0016 -.0002   .0002
Wat3   .403       0     .5  2.8  .0031  .0024  .0012  .0012 -.0003  -.0006
Wat4  .1830   .1920  .0593  4.9  .0059  .0087  .0013  .0054 -.0002   .0002
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