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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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Aragonite |
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Antao S M, Hassan I |
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The Canadian Mineralogist 47 (2009) 1245-1255 |
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The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: |
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Linear structural trends |
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Locality: Italy |
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Note: SXTL |
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4.96062 7.97006 5.74181 90 90 90 Pmcn |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .25 .4150 .7596 .008 .009 .007 .009 0 0 .000 |
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C .25 .7619 -.0849 .008 .009 .009 .005 0 0 .000 |
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O1 .25 .9224 -.0956 .013 .016 .007 .014 0 0 .000 |
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O2 .4738 .6804 -.0871 .012 .009 .012 .014 .003 .000 .001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Aragonite |
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Aragonite |
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Antao S M, Hassan I |
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The Canadian Mineralogist 47 (2009) 1245-1255 |
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The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: |
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Linear structural trends |
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Locality: Italy |
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Note: HRPXRD |
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4.96062 7.97006 5.74181 90 90 90 Pmcn |
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atom x y z Uiso |
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Ca .25 .41502 .7577 .0066 |
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C .25 .7616 -.0808 .0115 |
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O1 .25 .9220 -.0944 .0115 |
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O2 .4750 .6824 -.0905 .0115 |
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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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Aragonite |
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Aragonite |
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Antao S M, Hassan I |
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The Canadian Mineralogist 47 (2009) 1245-1255 |
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The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: |
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Linear structural trends |
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Locality: Spain |
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Note: HRPXRD |
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4.96174 7.96918 5.74265 90 90 90 Pmcn |
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atom x y z Uiso |
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Ca .25 .41508 .75953 .00735 |
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C .25 .7612 -.0842 .0107 |
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O1 .25 .9228 -.0947 .0107 |
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O2 .4743 .68059 -.0871 .0107 |
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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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