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Epsomite |
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Calleri M, Gavetti A, Ivaldi G, Rubbo M |
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Acta Crystallographica B40 (1984) 218-222 |
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Synthetic epsomite, MgSO4.7H2O: Absolute configuration and surface features |
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of the complementary {111} forms |
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Locality: synthetic |
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_database_code_amcsd 0021005 |
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11.887 12.013 6.861 90 90 90 P2_12_12_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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Mg .42279 .10616 .04023 .0181 .017 .019 .018 .000 .000 .000 |
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S .72658 .18391 .49046 .0180 .016 .020 .017 -.001 -.001 .000 |
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O1 .68483 .07519 .42752 .0386 .055 .024 .037 -.011 -.011 -.002 |
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O2 .85049 .18643 .48316 .0305 .017 .046 .029 .004 .000 .003 |
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O3 .68864 .20604 .69088 .0338 .028 .053 .021 -.010 .005 -.007 |
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O4 .68056 .27242 .36211 .0289 .026 .030 .031 .003 -.005 .007 |
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OW1 .26513 .17375 .00335 .0298 .023 .042 .024 .010 -.002 -.003 |
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OW2 .47188 .24819 .19796 .0234 .020 .027 .024 -.001 .000 -.005 |
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OW3 .46916 .17613 .77947 .0295 .023 .040 .025 .001 .004 .011 |
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OW4 .58271 .04587 .07720 .0344 .028 .042 .033 .017 -.008 -.011 |
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OW5 .37616 .96138 .88932 .0271 .032 .023 .026 -.004 .000 -.004 |
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OW6 .36233 .03435 .29140 .0323 .030 .040 .026 -.002 .004 .010 |
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OW7 .49164 .43790 .93903 .0339 .041 .027 .034 .001 .005 .003 |
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H1 .2343 .2274 .075 .036 |
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H2 .2395 .1864 -.1179 .036 |
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H3 .4263 .2639 .2947 .028 |
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H4 .5407 .2442 .2528 .028 |
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H5 .4397 .2367 .7072 .035 |
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H6 .5416 .1857 .7393 .035 |
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H7 .6257 .0665 .1858 .041 |
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H8 .6100 -.0223 .0401 .041 |
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H9 .3613 .8905 .9316 .032 |
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H10 .4117 .9540 .7849 .032 |
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H11 .2896 .0333 .3358 .039 |
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H12 .4045 -.0009 .3946 .039 |
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H13 .4241 .4791 .9345 .041 |
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H14 .4746 .3777 .9894 .041 |
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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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