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Charoite |
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Rozhdestvenskaya I V, Mugnaioli E, Czank M, Depmeier W, Kolb U, Merlino S |
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Mineralogical Magazine 75 (2011) 2833-2846 |
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Essential features of the polytypic charoite-96 structure compared to charoite-90 |
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Note: This structure is polytype charoite-96 |
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Locality: Murun massif in Yakutia, Sakha Republic, Siberia, Russia |
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_database_code_amcsd 0018568 |
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32.11 19.77 7.23 90 95.85 90 P2_1/m |
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atom x y z occ Uiso |
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Na(1) .9601 .0686 .364 .94 .031 |
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Na(2) .9649 .0708 .845 .89 .025 |
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Ca(1) .8773 .14569 .569 .052 |
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Ca(2) .8731 .1464 .065 .032 |
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Ca(3) .5411 .0442 .896 .048 |
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Ca(4) .5413 .0434 .395 .025 |
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Ca(5) .3514 .0663 .050 .043 |
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Ca(6) .3481 .0697 .542 .020 |
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K(1) .4834 .25 .605 .045 |
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K(2) .5963 .25 .185 .092 |
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K(3) .7364 .1201 .248 .85 .038 |
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K(4) .3584 .25 .306 .083 |
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K(5) .6971 .25 .761 .92 .051 |
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K(6) .2002 .051 .189 .48 .052 |
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Sr .3608 .25 .849 .69 .056 |
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Si(1) .4953 .1717 .134 .026 |
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Si(2) .4392 .0965 .383 .068 |
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Si(3) .4413 .1030 .815 .045 |
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Si(4) .5866 .1741 .662 .030 |
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Si(5) .6409 .1029 .413 .045 |
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Si(6) .6408 .1039 .987 .040 |
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Si(7) .6966 .0578 .712 .035 |
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Si(8) .7849 .1440 .765 .047 |
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Si(9) .7910 .25 .050 .018 |
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Si(10) .7941 .25 .482 .030 |
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Si(11) .2667 .1775 .481 .052 |
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Si(12) .2638 .1794 .041 .026 |
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Si(13) .2558 .0671 .736 .049 |
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Si(14) .8271 .0144 .299 .075 |
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Si(15) .1048 .0245 .945 .026 |
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Si(16) .1046 .0245 .392 .070 |
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Si(17) .0561 .1051 .660 .059 |
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Si(18) .0209 .25 .652 .016 |
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Si(19) .9429 .25 .885 .035 |
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Si(20) .9448 .25 .318 .073 |
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O(1) .511 .25 .159 .080 |
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O(2) .466 .157 .946 .035 |
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O(3) .464 .166 .302 .041 |
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O(4) .532 .120 .137 .060 |
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O(5) .438 .125 .592 .078 |
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O(6) .3908 .100 .308 .084 |
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O(7) .472 .035 .395 .059 |
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O(8) .393 .112 .803 .049 |
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O(9) .466 .032 .870 .039 |
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O(10) .571 .25 .724 .120 |
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O(11) .6151 .163 .487 .038 |
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O(12) .609 .163 .885 .034 |
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O(13) .550 .119 .632 .042 |
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O(14) .6845 .103 .538 .019 |
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O(15) .649 .132 .205 .041 |
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O(16) .616 .033 .386 .064 |
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O(17) .685 .091 .894 .062 |
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O(18) .613 .040 .948 .064 |
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O(19) .7473 .081 .736 .017 |
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O(20) .306 .025 .272 .066 |
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O(21) .776 .183 .565 .037 |
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O(22) .7713 .184 .939 .036 |
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O(23) .834 .116 .777 .088 |
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O(24) .777 .25 .264 .080 |
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O(25) .841 .25 .073 .063 |
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O(26) .844 .25 .537 .020 |
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O(27) .249 .25 .516 .024 |
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O(28) .242 .113 .553 .056 |
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O(29) .249 .171 .248 .075 |
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O(30) .313 .176 .518 .045 |
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O(31) .246 .25 .941 .081 |
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O(32) .251 .125 .890 .093 |
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O(33) .313 .187 .030 .035 |
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O(34) .221 .009 .745 .046 |
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O(35) .300 .031 .765 .095 |
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O(36) .150 .032 .851 .058 |
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O(37) .147 .012 .516 .034 |
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O(38) .836 .098 .298 .062 |
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O(39) .082 .086 .843 .077 |
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O(40) .111 .043 .172 .082 |
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O(41) .920 .044 .079 .060 |
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O(42) .915 .045 .607 .049 |
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O(43) .081 .089 .476 .039 |
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O(44) .0519 .186 .628 .033 |
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O(45) .014 .058 .634 .064 |
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O(46) .987 .25 .795 .036 |
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O(47) .980 .25 .492 .080 |
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O(48) .958 .25 .107 .130 |
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O(49) .925 .176 .841 .061 |
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O(50) .920 .176 .334 .088 |
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OH .007 .047 .143 .5 .092 |
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F .007 .047 .143 .5 .092 |
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Wat .697 .25 .261 .41 .180 |
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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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