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 7
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020077
12.3565 12.3565 7.3592 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   .30078 .19934       0     .01578  .0163  .0174  .0137 .00131   .000   .000
C1    .55350 .24262 -.10543      .0181  .0169  .0237  .0139 -.0009 -.0005  .0013
O1    .64335 .24568 -.18276      .0214  .0168  .0320  .0153 -.0034  .0024 -.0009
O2    .46306 .23712 -.18010      .0373  .0174  .0779  .0166 -.0047 -.0033  .0071
OW1   .11452 .14623       0      .0371  .0228  .0590  .0294 -.0052   .000   .000
OW2   .38269 .01887       0      .0395  .0489  .0321  .0375  .0149   .000   .000
Wat3       0      0   -.360 .18   .100
Wat31      0      0   -.277 .29   .089
H1      .077   .155   -.107       .108
H2      .385  -.010    .118       .151