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 16 Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years _database_code_amcsd 0020086 12.3627 12.3627 7.3574 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 .30084 .19934 .5 .01550 .01594 .01702 .0135 .00140 .000 .000 C1 .55350 .24224 .60549 .0180 .0177 .0221 .0143 -.0011 .0007 -.0019 O1 .64336 .24576 .68271 .0210 .0167 .0311 .0151 -.0032 -.0026 .0010 O2 .46301 .23670 .67995 .0369 .0173 .0765 .0169 -.0049 .0029 -.0068 OW1 .11453 .14716 .5 .0370 .0220 .0602 .0288 -.0058 .000 .000 OW2 .38270 .01878 .5 .0394 .0497 .0318 .0367 .0150 .000 .000 Wat3 0 0 .148 .26 .103 Wat31 0 0 .229 .32 .084 H1 .076 .160 .395 .118 H2 .385 -.006 .381 .161