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 9
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020079
12.3573 12.3573 7.3587 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   .30067  .19921     .5     .01577 .01734 .01641 .01355 .00144   .000   .000
C1    .25748 -.05343 .39468      .0182  .0236  .0172  .0137 -.0011 -.0013  .0003
O1    .25443 -.14338 .31720      .0214  .0323  .0162  .0157 -.0031  .0014 -.0027
O2    .26286  .03700 .32007      .0374  .0783  .0171  .0167 -.0047 -.0070  .0030
OW1   .35372  .38548     .5      .0372  .0594  .0222  .0301 -.0048   .000   .000
OW2   .48124  .11745     .5      .0403  .0330  .0497  .0381  .0147   .000   .000
Wat3      .5      .5   .146 .21   .100
Wat31     .5      .5   .230 .25   .084
H1      .344   .4238   .396       .105
H2      .509    .117   .384       .162