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