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Baratovite |
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Menchetti S, Sabelli C |
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American Mineralogist 64 (1979) 383-389 |
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The crystal structure of baratovite |
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_database_code_amcsd 0000712 |
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16.941 9.746 20.907 90 112.50 90 C2/c |
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atom x y z occ Biso |
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Ti .33460 .07052 .25190 .87 .36 |
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Zr .33460 .07052 .25190 .13 .36 |
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Ca1 .22017 -.07256 .51329 .62 |
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Ca2 .14518 .28319 .50695 .64 |
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Ca3 .07260 .63830 .50006 .58 |
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Ca4 0 0 .5 .60 |
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K 0 .07116 .25 2.52 |
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Si1 .61404 .26552 .36061 .46 |
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Si2 .43105 .32388 .36004 .46 |
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Si3 .36923 .63544 .35952 .47 |
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Si4 .49150 .87983 .36058 .46 |
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Si5 .67409 .81512 .35930 .46 |
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Si6 .73852 .50777 .36230 .46 |
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Li1 .5 .0843 .25 .90 |
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Li2 .2465 .3281 .2488 1.00 |
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O1 .65859 .40248 .34516 1.05 |
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O2 .65949 .22375 .44124 .78 |
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O3 .61253 .14422 .30831 .83 |
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O4 .51498 .30992 .34054 .94 |
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O5 .35284 .24005 .30572 .81 |
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O6 .45297 .28340 .43964 .91 |
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O7 .41045 .48836 .35154 1.23 |
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O8 .27384 .65317 .30411 .89 |
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O9 .37909 .65109 .43871 .92 |
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O10 .42732 .74862 .34060 .95 |
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O11 .52081 .92000 .44137 .80 |
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O12 .44899 .00464 .30851 .75 |
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O13 .57291 .82063 .34558 1.07 |
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O14 .72900 .85295 .43888 .89 |
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O15 .69539 .90634 .30421 .81 |
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O16 .69225 .65698 .34453 1.03 |
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O17 .78585 .47590 .31054 .79 |
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O18 .80087 .49875 .44299 .87 |
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F .10199 .06911 .45949 1.14 |
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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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Baratovite |
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Baur W H, Kassner D |
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European Journal of Mineralogy 4 (1992) 839-841 |
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Katayamalite and baratovite are structurally identical |
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_database_code_amcsd 0006461 |
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16.923 9.721 20.909 90 112.40 90 C2/c |
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atom x y z |
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K 0 .07100 .25000 |
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Li1 .50000 .08350 .25000 |
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Li2 .24625 .31675 .24850 |
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Ca1 .22050 -.07250 .51300 |
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Ca2 .14550 .28350 .50700 |
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Ca3 .07200 .63900 .50000 |
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Ca4 0 0 0 |
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Ti .33500 .07050 .25200 |
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Si1 .61400 .26500 .36000 |
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Si2 .43100 .32350 .36000 |
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Si3 .36850 .63500 .35900 |
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Si4 .49100 .88000 .36000 |
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Si5 .67350 .81550 .35900 |
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Si6 .73900 .50800 .36200 |
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O1 .65850 .40350 .34500 |
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O2 .65900 .22350 .44100 |
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O3 .61250 .14350 .30800 |
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O4 .51525 .30975 .34050 |
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O5 .35350 .23900 .30600 |
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O6 .45200 .28300 .43900 |
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O7 .41025 .48775 .35050 |
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O8 .27350 .65300 .30400 |
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O9 .37850 .65150 .43800 |
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O10 .42675 .74875 .34050 |
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O11 .52125 .91975 .44150 |
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O12 .44850 .00450 .30900 |
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O13 .57250 .82050 .34500 |
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O14 .72800 .85450 .43800 |
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O15 .69500 .90700 .30400 |
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O16 .69250 .65750 .34500 |
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O17 .78550 .47600 .31000 |
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O18 .80050 .49850 .44200 |
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F .10100 .06850 .45700 |
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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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