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 6
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020076
12.3542 12.3542 7.3604 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   .30069 .19934       0     .01606 .01679 .01794 .01344 .00150   .000   .000
C1    .55340 .24262 -.10546      .0186  .0176  .0240  .0141 -.0013 -.0005  .0017
O1    .64342 .24543 -.18270      .0219  .0172  .0333  .0152 -.0031  .0024 -.0011
O2    .46289 .23760 -.18008      .0382  .0183  .0794  .0167 -.0051 -.0032  .0076
OW1   .11447 .14546       0      .0372  .0228  .0570  .0317 -.0048   .000   .000
OW2   .38228 .01872       0      .0402  .0491  .0336  .0379  .0149   .000   .000
Wat3       0      0   -.347 .21   .102
Wat31      0      0   -.266 .18   .082
H1      .075   .154   -.105       .122
H2      .392  -.005    .119       .155