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