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 5 Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years _database_code_amcsd 0020075 12.3528 12.3528 7.3569 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 .30071 .19929 .5 .01487 .01636 .01520 .01306 .00135 .000 .000 C1 .25754 -.05330 .39455 .0174 .0230 .0160 .0133 -.0012 -.0012 .0001 O1 .25452 -.14353 .31711 .02048 .0309 .0157 .0148 -.0030 .0014 -.0023 O2 .26274 .03718 .31977 .0367 .0771 .0162 .0167 -.0052 -.0072 .0030 OW1 .35414 .38555 .5 .0353 .0549 .0207 .0301 -.0037 .000 .000 OW2 .48141 .11757 .5 .0378 .0308 .0470 .0356 .0145 .000 .000 Wat3 .5 .5 .158 .21 .090 Wat31 .5 .5 .234 .19 .071 H1 .342 .426 .396 .103 H2 .505 .111 .380 .165