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Yoshimuraite |
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McDonald A M, Grice J D, Chao G Y |
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The Canadian Mineralogist 38 (2000) 649-656 |
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The crystal structure of yoshimuraite, a layered Ba-Mn-Ti silicophosphate, |
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with comments on five-coordinated Ti |
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_database_code_amcsd 0005651 |
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6.999 14.748 5.386 93.62 89.98 95.50 P-1 |
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atom x y z occ |
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Ba1 .33664 .32839 .22065 |
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Ba2 .82198 .39244 -.26926 |
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Mn1 0 0 0 |
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Mn2 .24817 -.00484 .49933 |
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Mn3 0 .5 0 |
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Ti .79479 .20281 .19897 .78 |
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Fe .79479 .20281 .19897 .22 |
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Si1 .06444 .18813 -.30518 |
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Si2 .51303 .18517 .69546 |
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P .71812 .52290 .25371 .46 |
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S .71812 .52290 .25371 .34 |
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Si .71812 .52290 .25371 .17 |
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O1 .68966 .41905 .23644 |
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O2 .60802 .23223 .45759 |
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O3 -.00953 .23529 -.04731 |
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O4 -.00825 .23654 .45609 |
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O5 .60787 .23087 -.04905 |
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O6 .82858 .55356 .03761 |
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O7 .17183 .44764 .51800 |
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O8 .48855 -.07530 .32539 |
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O9 -.22796 .08182 .18342 |
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O10 .29597 .21492 .69743 |
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OH11 .26219 .06656 .17306 |
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O12 .01737 .07821 -.32642 |
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O13 .53965 .57034 .26244 |
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