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 4
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020074
12.3530 12.3530 7.3594 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   .30069 .19937       0     .01599 .01651 .01755  .0139 .00147   .000   .000
C1    .55331 .24264 -.10552      .0182  .0176  .0232  .0139 -.0014 -.0003  .0012
O1    .64339 .24550 -.18258      .0220  .0172  .0330  .0156 -.0032  .0022 -.0014
O2    .46294 .23755 -.18011      .0380  .0177  .0793  .0170 -.0057 -.0034  .0077
OW1   .11452 .14548       0      .0372  .0231  .0575  .0312 -.0040   .000   .000
OW2   .38230 .01879       0      .0404  .0501  .0329  .0383  .0153   .000   .000
Wat3       0      0   -.351 .19   .097
Wat31      0      0   -.268 .20   .091
H1      .076   .154   -.106       .112
H2      .392  -.004    .119       .158