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 14
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020084
12.363 12.363 7.3460 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   .30064  .19912     .5     .01381  .0158  .0147  .0110  .0012   .000   .000
C1    .25781 -.05340  .3943      .0167  .0215  .0170  .0116 -.0006 -.0008 -.0001
O1    .25444 -.14367 .31724      .0200  .0318  .0157  .0124 -.0031  .0006 -.0027
O2    .26328  .03689  .3203      .0361  .0776  .0147  .0158 -.0033 -.0069  .0022
OW1    .3534   .3854     .5      .0352  .0541  .0239  .0276 -.0029   .000   .000
OW2    .4811   .1169     .5      .0387  .0325  .0504  .0333  .0134   .000   .000
Wat3      .5      .5   .131 .20    .11
Wat31     .5      .5   .221 .34   .080
H1      .332    .418   .595       .089
H2      .507    .129   .397        .14