Hydropyrochlore
Ercit T S, Hawthorne F C, Cerny P
The Canadian Mineralogist 32 (1994) 415-420
The structural chemistry of kalipyrochlore, a "hydropyrochlore"
_database_code_amcsd 0005370
10.604 10.604 10.604 90 90 90 *Fd3m
.125 .125 .125
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb        0     0     0 .90 .0259  .0259  .0259  .0259 -.0065 -.0065 -.0065
Ti        0     0     0 .10 .0259  .0259  .0259  .0259 -.0065 -.0065 -.0065
SrA      .5    .5    .5 .05 .0042
CaA      .5    .5    .5 .01 .0042
WatA' .5100 .5100 .5100  .5 .0042
O     .3120  .125  .125 .68 .0159
OH    .3120  .125  .125 .32 .0159
Wat'   .398  .398  .331 .58 .0500
K'     .398  .398  .331 .10 .0500
Wat"   .407  .407  .407 .58 .0500
K"     .407  .407  .407 .10 .0500