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
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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