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 2
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020072
12.3543 12.3543 7.3547 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   .30058  .19919    .5     .01372  .0152  .0143  .0116  .0018   .000   .000
C1    .25786 -.05338 .3948      .0166  .0218  .0161  .0119 -.0014 -.0013  .0004
O1    .25476 -.14355 .3173      .0197  .0303  .0152  .0137 -.0033  .0011 -.0030
O2     .2631  .03702 .3200      .0362  .0765  .0157  .0165 -.0045 -.0072  .0027
OW1    .3539   .3852    .5      .0349  .0524  .0223  .0300 -.0029   .000   .000
OW2    .4816   .1173    .5      .0383  .0316  .0488  .0345  .0146   .000   .000
Wat3      .5      .5  .133 .11    .06
Wat31     .5      .5  .218 .29   .085
H1      .336    .421  .599        .10
H2      .501    .125  .391        .22