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Konyaite |
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Leduc E M S, Peterson R C, Wang R |
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American Mineralogist 94 (2009) 1005-1011 |
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The crystal structure and hydrogen bonding of synthetic konyaite, Na2Mg(SO4)2*5H2O |
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Locality: synthetic |
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_database_code_amcsd 0004958 |
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5.7690 23.951 8.0460 90 95.425 90 P2_1/c |
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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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Na1 .2203 .5495 .5513 .016 .019 .015 .014 -.001 -.004 -.001 |
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Na2 .1837 .4453 .8445 .017 .020 .016 .014 -.001 .000 .001 |
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Mg .5349 .6408 .8182 .010 .010 .010 .010 .000 .000 .000 |
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S1 .2878 .4911 .2009 .009 .010 .010 .009 .000 .000 .000 |
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S2 .0047 .6677 .3255 .011 .010 .010 .011 .000 .000 .001 |
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O1 -.0458 .6177 .4224 .017 .015 .014 .024 .000 .004 .006 |
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O2 .0538 .6495 .1567 .018 .016 .027 .012 .003 .000 -.003 |
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O3 -.1972 .7055 .3113 .016 .015 .013 .021 .004 -.002 -.002 |
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O4 .2114 .6969 .4066 .016 .016 .016 .016 -.005 -.005 .002 |
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O5 .1067 .4956 .3174 .016 .015 .017 .015 -.002 .004 -.004 |
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O6 .2264 .5270 .0562 .017 .021 .014 .015 .000 -.002 .005 |
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O7 .2935 .4325 .1386 .013 .015 .011 .014 .002 -.001 -.001 |
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O8 .5153 .5067 .2860 .016 .013 .016 .017 -.002 -.003 -.001 |
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Ow1 .2162 .6019 .8060 .013 .011 .013 .014 .001 .002 .003 |
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Ow2 .5383 .6245 .5616 .015 .014 .018 .012 .003 .003 .002 |
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Ow3 .8470 .6825 .8560 .014 .014 .013 .015 -.002 -.002 .002 |
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Ow4 .5039 .6514 .0720 .021 .014 .034 .015 -.009 .005 -.010 |
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Ow5 .3687 .7133 .7400 .017 .021 .013 .016 .006 -.002 -.002 |
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H1A .107 .622 .802 .028 |
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H1B .207 .582 .872 .033 |
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H2A .471 .648 .503 .04 |
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H2B .669 .622 .524 .033 |
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H3A .909 .680 .944 .016 |
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H3B .839 .718 .844 .042 |
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H4A .574 .675 .138 .031 |
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H4B .374 .650 .106 .031 |
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H5A .324 .739 .792 .024 |
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H5B .301 .715 .651 .06 |
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