Weddellite Izatulina A, Gurzhiy V, Frank-Kamenetskaya O American Mineralogist 99 (2014) 2-7 Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 3 Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years _database_code_amcsd 0020073 12.3462 12.3462 7.3535 90 90 90 I4/m atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca1 .30075 .19937 .5 .01424 .0149 .0162 .0117 .00152 .000 .000 C1 .55341 .24226 .6053 .0172 .0163 .0230 .0122 -.0014 .0007 -.0016 O1 .64356 .24534 .68282 .0200 .0156 .0315 .0128 -.0032 -.0027 .0012 O2 .46302 .23717 .6798 .0368 .0150 .0791 .0164 -.0041 .0023 -.0070 OW1 .1146 .1458 .5 .0351 .0218 .0535 .0300 -.0020 .000 .000 OW2 .3824 .0186 .5 .0384 .0479 .0324 .0348 .0147 .000 .000 Wat3 0 0 .15 .14 .10 Wat31 0 0 .224 .24 .092 H1 .075 .167 .594 .110 H2 .395 .010 .600 .23