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 8 Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years _database_code_amcsd 0020078 12.3443 12.3443 7.3599 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 .30065 .19921 .5 .01349 .0153 .0137 .0115 .0012 .000 .000 C1 .25761 -.05342 .3943 .0163 .0201 .0151 .0137 -.0014 -.0019 .0005 O1 .25465 -.14352 .31736 .0197 .0307 .0148 .0135 -.0029 .0014 -.0033 O2 .26291 .03685 .3203 .0365 .0782 .0156 .0157 -.0045 -.0068 .0022 OW1 .3542 .38529 .5 .0348 .0547 .0221 .0274 -.0022 .000 .000 OW2 .4811 .1173 .5 .0387 .0317 .0476 .0368 .0156 .000 .000 Wat3 .5 .5 .14 .14 .11 Wat31 .5 .5 .217 .29 .091 H1 .338 .420 .595 .086 H2 .494 .107 .407 .21