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 15
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years
_database_code_amcsd 0020085
12.3620 12.3620 7.3574 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   .30085 .19934       0     .01576  .0160  .0172 .01401 .00145   .000   .000
C1    .55341 .24233 -.10548      .0183  .0176  .0228  .0144 -.0011 -.0002  .0012
O1    .64339 .24571 -.18292      .0214  .0166  .0319  .0158 -.0032  .0022 -.0014
O2    .46305 .23672 -.17996      .0370  .0172  .0768  .0170 -.0047 -.0026  .0066
OW1   .11443 .14709       0      .0374  .0224  .0595  .0302 -.0046   .000   .000
OW2   .38256 .01869       0      .0404  .0498  .0326  .0387  .0151   .000   .000
Wat3       0      0   -.344 .28   .097
Wat31      0      0   -.264 .27   .082
H1      .075   .166   -.104       .127
H2      .390  -.004   -.122        .19