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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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| 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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Konyaite |
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Mills S J, Wilson S A, Dipple G M, Raudsepp M |
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Mineralogical Magazine 74 (2010) 903-917 |
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The decomposition of konyaite: importance in CO2 fixation in mine tailings |
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Locality: synthetic |
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_database_code_amcsd 0017884 |
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5.7594 23.914 8.0250 90 95.288 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 .27761 .45040 -.04907 .0240 .0281 .0207 .0218 -.0002 -.0057 -.0023 |
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Na2 -.31311 .44526 .34401 .0244 .0289 .0230 .0207 -.0015 -.0005 .0006 |
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Mg1 .03518 .64080 .31838 .01360 .0123 .0127 .0157 .0000 .0007 -.0006 |
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S1 .21295 .509125 .29840 .01293 .0129 .0113 .0144 .00049 .0004 -.00046 |
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S2 .49462 .332195 .17467 .01510 .0137 .0133 .0180 -.00028 -.0003 .00038 |
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O1 .2066 .56761 .3603 .0181 .0201 .0130 .0207 .0035 -.0015 -.0032 |
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O2 -.2828 .60147 .3067 .0176 .0133 .0187 .0208 -.0022 .0014 .0020 |
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O3 .0403 .62514 .0618 .0208 .0193 .0253 .0183 .0043 .0047 .0037 |
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O4 .3462 .68275 .3573 .0212 .0191 .0171 .0266 -.0029 -.0019 .0007 |
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O5 .2715 .47355 .4428 .0248 .0300 .0189 .0244 .0004 -.0035 .0082 |
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O6 .3943 .50444 .1832 .0229 .0213 .0250 .0237 -.0022 .0091 -.0066 |
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O7 -.0127 .49378 .2132 .0222 .0167 .0225 .0259 -.0030 -.0061 -.0009 |
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O8 -.1336 .71310 .2410 .0244 .0292 .0177 .0251 .0055 -.0046 -.0017 |
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O9 .0042 .65095 .5725 .0303 .0196 .0489 .0233 -.0117 .0058 -.0147 |
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O10 .6961 .29487 .1884 .0252 .0210 .0177 .0356 .0061 -.0045 -.0043 |
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O11 .2895 .30311 .0934 .0253 .0221 .0234 .0285 -.0076 -.0083 .0042 |
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O12 .5440 .38201 .0786 .0263 .0218 .0176 .0402 -.0004 .0064 .0102 |
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O13 .4449 .35015 .3428 .0283 .0215 .0439 .0194 .0056 .0014 -.0044 |
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H1 -.214 .7134 .143 .039 |
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H2 -.138 .6461 .607 .068 |
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H3 -.290 .5810 .391 .045 |
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H4 .180 .6215 .023 .047 |
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H5 .434 .6798 .460 .055 |
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H6 -.411 .6201 .297 .036 |
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H7 .065 .6791 .638 .071 |
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H8 -.178 .7398 .308 .060 |
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H9 .330 .7186 .349 .065 |
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H10 -.029 .6539 .004 .073 |
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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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