Aragonite Ye Y, Smyth J R, Boni P American Mineralogist 97 (2012) 707-712 Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K Locality: natural, unknown locality _database_code_amcsd 0018855 4.9692 7.9873 5.7796 90 90 90 Pmcn atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca .25 .41496 .7597 .997 .025 .026 .020 .028 0 0 -.0004 Sr .25 .41496 .7597 .003 .025 .026 .020 .028 0 0 -.0004 C .25 .7611 -.0821 .020 .044 .016 .001 0 0 -.001 O1 .25 .9217 -.0937 .029 .038 .010 .040 0 0 .000 O2 .4737 .6800 -.0847 .028 .026 .024 .035 .013 .002 .0025