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 1 Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years _database_code_amcsd 0020071 12.3363 12.3363 7.3448 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 .69940 .19936 .5 .01288 .0144 .0131 .0111 -.0014 .000 .000 C1 .74239 -.05333 .3945 .0157 .0210 .0141 .0121 .0008 .0020 .0003 O1 .74513 -.14369 .3173 .0192 .0308 .0144 .0124 .0034 -.0017 -.0025 O2 .73769 .03708 .3201 .0352 .0762 .0146 .0147 .0042 .0073 .0022 OW1 .6449 .3854 .5 .0326 .0472 .0214 .0292 .0004 .000 .000 OW2 .5186 .1175 .5 .0366 .0306 .0452 .0339 -.0139 .000 .000 Wat3 .5 .5 .14 .09 .09 Wat31 .5 .5 .219 .18 .08 H1 .668 .424 .403 .106 H2 .5 .113 .396 .24