American Mineralogist Crystal Structure Database

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Traskite
Download hom/traskite.pdf
Malinovskii Yu A, Pobedimskaya E A, Belov N V
 
Doklady Akademii Nauk SSSR 229 (1976) 1101-1104
Crystal structure of traskite
Note: y(OH1) and z(OH1) adjusted to match reported bond lengths
_database_code_amcsd 0012455
17.89 17.89 12.33 90 90 120 P-6m2
atom      x      y    z occ
Ba1  -.2207  .2207 .243
Ba2   .4222 -.4222   .5
Ba3   .3515  .3618    0
Ba4   .5694 -.5694   .5
Ba5   .2034 -.2034 .238
TiA     2/3    1/3 .271
FeB     1/3    2/3 .240
CaC     1/3    2/3    0
FeD   .4007  .4062 .297 2/3
TiD   .4007  .4062 .297 1/3
Si1    .569  -.569 .139
Si2    .440  -.440 .128
Si3    .092   .358   .5
Si4    .736   .098   .5
O1     .318   .418 .395
O2     .272   .267   .5
O3     .833  -.833   .5
O4     .169  -.169   .5
O5     .403   .311 .385
O6     .571  -.571    0
O7     .472   .095 .179
O8     .387  -.387 .136
O9     .447  -.447    0
O10    .377   .466 .185
O11    .617  -.617 .172
Cl1    .185  -.185    0
Cl2    .791  -.791    0
OH1    .289   .283 .241
OH2    .285  -.285 .388
OH3    .715  -.715 .382
OH4    .509  -.509 .361
Wat1   .878  -.878 .246
Wat2   .088  -.088    0
Wat3   .864  -.864    0
Wat4      0      0   .5
Wat5      0      0    0
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