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Natrolite |
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Wang H, Bish D L |
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American Mineralogist 93 (2008) 1191-1194 |
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A PH2O-dependent structural phase transition in the zeolite natrolite |
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Sample: alpha1-metanatrolite at 400 C, 0.15 mbar |
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_database_code_amcsd 0004617 |
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16.167 16.938 6.4380 90 90 89.680 F2 |
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atom x y z Uiso |
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Si11 0 0 0 .009 |
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Si12 .25 .25 .25 .009 |
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Si21 .1356 .2335 .619 .009 |
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Si22 .1122 -.0197 .370 .009 |
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Al11 .0246 .1066 .615 .009 |
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Al12 .2685 .1398 .863 .009 |
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Na1 .0683 .1911 .149 .051 |
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Na2 .2912 .0793 .403 .051 |
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O11 .0420 .0674 .860 .020 |
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O12 .2417 .1716 .112 .020 |
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O21 .0390 .2078 .614 .020 |
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O22 .2096 -.0400 .359 .020 |
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O31 .0950 .0686 .437 .020 |
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O32 .1476 .3044 .781 .020 |
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O41 .0736 -.0785 .543 .020 |
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O42 .1874 .1570 .693 .020 |
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O51 .0707 -.0381 .146 .020 |
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O52 .1682 .2584 .393 .020 |
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Natrolite |
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Wang H, Bish D L |
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American Mineralogist 93 (2008) 1191-1194 |
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A PH2O-dependent structural phase transition in the zeolite natrolite |
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Sample: alpha2-metanatrolite at 400 C, 0.15 mbar |
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_database_code_amcsd 0004618 |
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17.574 18.161 6.3674 90 90 90 Fdd2 |
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atom x y z occ Uiso |
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Si1 0 0 0 .009 |
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Si2 .1448 .2189 .623 .009 |
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Al .0339 .0990 .606 .009 |
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Na11 .005 .198 .742 .41 .051 |
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Na12 .207 .051 .264 .59 .951 |
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O1 .0325 .0673 .861 .020 |
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O2 .0572 .1920 .611 .020 |
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O3 .1020 .0513 .468 .020 |
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O4 .1939 .1602 .757 .020 |
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O5 .1798 .2204 .389 .020 |
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Sanderite |
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Ma H, Bish D L, Wang H W, Chipera S J |
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American Mineralogist 94 (2009) 622-625 |
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Determination of the crystal structure of sanderite, MgSO4*2H2O, |
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by X-ray powder diffraction and the charge flipping method |
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Locality: synthetic |
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Note: x-coordinate of O4 changed by the author |
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_database_code_amcsd 0004915 |
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8.8932 8.4881 12.4401 90 90 90 P2_12_12_1 |
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atom x y z Biso |
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Mg1 .7870 .4648 .2552 .8 |
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Mg2 .2976 .5404 .4961 .8 |
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S1 .1435 .5737 .2508 .4 |
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S2 .6641 .5816 .4898 .4 |
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O1 .1492 .7382 .2126 1.2 |
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O2 .2656 .5499 .3322 1.2 |
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O3 .1676 .4614 .1597 1.2 |
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O4 -.0012 .5415 .3076 1.2 |
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O5 .7345 .4598 .4171 1.2 |
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O6 .7578 .7231 .4804 1.2 |
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O7 .6596 .5135 .5978 1.2 |
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O8 .5089 .6171 .4561 1.2 |
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Wat1 .5628 .4006 .2188 1.2 |
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Wat2 .7150 .6989 .2377 1.2 |
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Wat3 .3569 .3027 .4753 1.2 |
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Wat4 .0691 .4779 .5115 1.2 |
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MgSO4*2.5H2O |
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Ma H, Bish D L, Wang H W, Chipera S J |
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American Mineralogist 94 (2009) 1071-1074 |
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Structure determination of the 2.5 hydrate MgSO4 phase by simulated annealing |
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Locality: synthetic |
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_database_code_amcsd 0004970 |
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18.8636 12.3391 8.9957 90 94.568 90 C2/c |
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atom x y z Biso |
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Mg1 .3663 .6193 .4811 .8 |
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Mg2 .3977 .1199 .4053 .8 |
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S1 .3361 .3743 .3426 .4 |
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S2 .5733 .1307 .4527 .4 |
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O1 .3590 .4565 .4505 1.2 |
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O2 .3332 .4139 .1879 1.2 |
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O3 .2654 .3307 .3691 1.2 |
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O4 .3839 .2801 .3520 1.2 |
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O5 .6258 .2157 .5059 1.2 |
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O6 .5012 .1762 .4458 1.2 |
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O7 .5814 .0429 .5619 1.2 |
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O8 .5897 .0789 .3144 1.2 |
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Wat1 .4736 .6027 .5573 1.5 |
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Wat2 .3919 .6347 .2593 1.5 |
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Wat3 .2592 .6438 .4233 1.5 |
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Wat4 .2882 .0798 .3748 1.5 |
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Wat5 .3843 .1497 .6302 1.5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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