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Fichtelite |
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Mace H A, Peterson R C |
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The Canadian Mineralogist 33 (1995) 7-11 |
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The crystal structure of fichtelite, a naturally occuring hydrocarbon |
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10.706 7.458 10.824 90 105.85 90 P2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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C1 .2185 .440 .6233 .084 .052 .071 -.011 .014 -.004 |
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C2 .2271 .347 .7502 .079 .055 .085 -.007 .010 .015 |
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C3 .3596 .376 .8411 .093 .065 .073 .015 .027 .014 |
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C4 .3942 .573 .8651 .056 .060 .063 .007 .009 -.002 |
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C5 .3743 .671 .7354 .055 .065 .057 .007 .015 -.003 |
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C6 .4093 .870 .7514 .069 .061 .070 -.020 .001 -.008 |
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C7 .4189 .953 .6256 .059 .064 .070 -.019 .011 -.004 |
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C8 .2959 .919 .5177 .053 .054 .061 -.004 .018 -.006 |
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C9 .2595 .719 .5046 .053 .044 .055 -.005 .010 -.006 |
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C10 .2426 .645 .6348 .055 .040 .066 -.003 .007 .003 |
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C11 .1423 .697 .3925 .103 .037 .073 -.023 .001 -.004 |
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C12 .1654 .766 .2688 .084 .061 .056 -.009 .002 -.002 |
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C13 .1909 .969 .2780 .051 .062 .064 .004 .017 -.003 |
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C14 .3122 -.005 .3920 .058 .065 .061 -.008 .017 .000 |
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C15 .2084 .058 .1551 .057 .100 .057 .003 .015 .014 |
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C16 .212 .262 .172 .150 .074 .072 -.043 .010 .028 |
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C17 .099 .016 .042 .117 .064 .095 .013 .021 .015 |
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C18 .3215 .657 .9575 .099 .085 .058 .010 .029 .007 |
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C19 .1292 .732 .6699 .046 .085 .078 .004 .024 .008 |
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H1 .269 .40 .582 .08 |
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H2 .881 -.080 .439 .04 |
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H3 .797 -.29 .268 .08 |
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H4 .135 .416 .784 .07 |
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H5 .574 -.165 .200 .06 |
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H6 .653 -.213 .074 .08 |
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H7 .506 .072 .106 .04 |
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H8 .446 .615 .681 .04 |
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H9 .486 .872 .800 .07 |
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H10 .662 .438 .205 .07 |
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H11 .501 .39 .400 .15 |
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H12 .522 .55 .375 .16 |
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H13 .772 .480 .460 .02 |
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H14 .346 .613 .478 .07 |
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H15 .969 .27 .596 .12 |
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H16 .126 .603 .375 .01 |
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H17 .266 .68 .254 .12 |
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H18 .894 .241 .804 .02 |
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H19 .892 .508 .704 .04 |
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H20 .347 .11 .386 .12 |
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H21 .392 .89 .352 .13 |
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H22 .694 .502 .857 .06 |
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H23 .095 .929 .028 .01 |
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H24 .144 .09 .967 .14 |
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H25 -.015 .04 .045 .12 |
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H26 .228 .30 .109 .03 |
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H27 .263 .336 .226 .05 |
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H28 .202 .62 .922 .16 |
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H29 .334 .81 .984 .09 |
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H30 .337 .623 .026 .04 |
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H31 .103 .689 .747 .07 |
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H32 .048 .71 .617 .08 |
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H33 .131 .85 .695 .10 |
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