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 13
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020083
12.3622 12.3622 7.3603 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   .30065  .19917     .5     .01527 .01689 .01595 .01298 .00139   .000   .000
C1    .25769 -.05337 .39469      .0179  .0239  .0166  .0131 -.0009 -.0015  .0006
O1    .25436 -.14343 .31719     .02099  .0315  .0165  .0150 -.0032  .0010 -.0025
O2    .26318  .03699 .31989      .0370  .0781  .0164  .0166 -.0047 -.0067  .0031
OW1   .35309  .38568     .5      .0366  .0589  .0217  .0292 -.0050   .000   .000
OW2   .48147  .11761     .5      .0393  .0325  .0492  .0363  .0150   .000   .000
Wat3      .5      .5   .154 .26   .095
Wat31     .5      .5   .234 .26   .081
H1      .339    .424   .394       .125
H2      .503    .105   .380       .175