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Aragonite |
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de Villiers J P R |
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American Mineralogist 56 (1971) 758-767 |
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Crystal structures of aragonite, strontianite, and witherite |
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4.9614 7.9671 5.7404 90 90 90 Pmcn |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .25 .4150 .7597 .0062 .0021 .0063 0 0 .0001 |
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C .25 .7622 -.0862 .0065 .0027 .0025 0 0 -.0006 |
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O1 .25 .9225 -.0962 .0122 .0028 .0086 0 0 -.0011 |
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O2 .4736 .6810 -.0862 .0053 .0042 .0069 .0008 -.0001 -.003 |
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Aragonite |
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Dal Negro A, Ungaretti L |
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American Mineralogist 56 (1971) 768-772 |
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Refinement of the crystal structure of aragonite |
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4.9616 7.9705 5.7394 90 90 90 Pmcn |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .25 .4151 .2403 .006640 .002837 .004770 0 0 -.000153 |
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C .25 .7627 .0850 .008507 .003545 .005068 0 0 .000594 |
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O1 .25 .9231 .0952 .014831 .003861 .009870 0 0 .001077 |
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O2 .4729 .6801 .0870 .008513 .005523 .010188 .001234 .000688 -.000260 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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