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 12
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020082
12.3567 12.3567 7.3573 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   .30066  .19917     .5     .01543 .01705 .01593 .01330 .00138   .000   .000
C1    .25768 -.05337 .39460      .0181  .0233  .0172  .0138 -.0012 -.0013  .0004
O1    .25440 -.14347 .31715      .0211  .0315  .0167  .0152 -.0033  .0014 -.0020
O2    .26314  .03704 .31979      .0372  .0779  .0171  .0166 -.0051 -.0069  .0025
OW1   .35334  .38540     .5      .0368  .0583  .0223  .0298 -.0048   .000   .000
OW2   .48137  .11747     .5      .0394  .0322  .0488  .0371  .0145   .000   .000
Wat3      .5      .5   .147 .22   .094
Wat31     .5      .5   .228 .29   .084
H1      .340    .424   .396       .109
H2      .506    .112   .381       .168