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 11 Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years _database_code_amcsd 0020081 12.3576 12.3576 7.3578 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 .69934 .19918 .5 .01549 .01697 .01599 .01351 -.00141 .000 .000 C1 .74242 -.05351 .39473 .0181 .0227 .0175 .0143 .0012 .0015 .0002 O1 .74562 -.14334 .31713 .0210 .0310 .0165 .0154 .0032 -.0011 -.0025 O2 .73706 .03699 .32006 .0370 .0771 .0169 .0170 .0046 .0068 .0029 OW1 .64663 .38552 .5 .0370 .0587 .0223 .0299 .0052 .000 .000 OW2 .51882 .11730 .5 .0397 .0322 .0493 .0374 -.0147 .000 .000 Wat3 .5 .5 .151 .25 .101 Wat31 .5 .5 .233 .27 .082 H1 .658 .423 .396 .115 H2 .495 .116 .619 .170