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 10
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020080
12.3558 12.3558 7.3601 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   .30072 .19935       0     .01560 .01612 .01716 .01351 .00145   .000   .000
C1    .55334 .24250 -.10556      .0183  .0172  .0236  .0140 -.0013 -.0004  .0016
O1    .64344 .24545 -.18275      .0215  .0167  .0325  .0153 -.0034  .0023 -.0012
O2    .46287 .23739 -.18010      .0378  .0169  .0793  .0171 -.0051 -.0028  .0073
OW1   .11452 .14576       0      .0369  .0219  .0573  .0315 -.0037   .000   .000
OW2   .38231 .01870       0      .0395  .0492  .0322  .0370  .0147   .000   .000
Wat3       0      0   -.349 .19   .097
Wat31      0      0   -.269 .20   .085
H1      .076   .159   -.105       .106
H2      .389  -.007    .119       .164