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Aragonite |
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Ye Y, Smyth J R, Boni P |
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American Mineralogist 97 (2012) 707-712 |
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Crystal structure and thermal expansion of aragonite-group carbonates |
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by single-crystal X-ray diffraction |
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Note: T = 300 K, high-temperature experiment |
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Locality: natural, unknown locality |
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_database_code_amcsd 0018852 |
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4.9615 7.9629 5.7428 90 90 90 Pmcn |
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atom x y z occ 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 .4151 .7600 .997 .017 .018 .016 .017 0 0 -.0016 |
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Sr .25 .4151 .7600 .003 .017 .018 .016 .017 0 0 -.0016 |
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C .25 .764 -.085 .017 .017 .034 .000 0 0 .004 |
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O1 .25 .9246 -.096 .019 .029 .005 .024 0 0 .000 |
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O2 .4753 .6807 -.0861 .017 .008 .017 .026 .006 .002 .003 |
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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 (permalink)
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