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Wermlandite |
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Rius J, Allmann R |
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Zeitschrift fur Kristallographie 168 (1984) 133-144 |
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The superstructure of the double layer mineral wermlandite |
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[Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2- |
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Locality: Langban, Warmland, Sweden |
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_database_code_amcsd 0010871 |
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9.303 9.303 22.570 90 90 120 P-3c1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 0 .25 .002581 .002581 .000388 .001290 .000000 .000000 |
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Mg2 .3319 0 .25 .002619 .003158 .000491 .001579 .000069 .000137 |
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Mg3 .6672 0 .25 .003351 .002503 .000422 .001252 -.000062 -.000124 |
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Al 2/3 1/3 .2479 .57 .004545 .004545 .000888 .002272 .000000 .000000 |
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Fe 2/3 1/3 .2479 .43 .004545 .004545 .000888 .002272 .000000 .000000 |
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Ca 0 0 0 .6 .014597 .014597 .002508 .007299 .000000 .000000 |
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Mg 0 0 0 .4 .014597 .014597 .002508 .007299 .000000 .000000 |
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S 1/3 2/3 .0571 .010014 .010014 .001271 .005007 .000000 .000000 |
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Oh1 .1138 .2227 .2046 .008627 .006432 .000520 .005739 .000234 .000027 |
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Oh2 .1182 .5597 .2062 .005893 .006085 .000648 .003158 .000275 -.000014 |
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Oh3 .4504 .2272 .2041 .006432 .006047 .000309 .002465 -.000179 -.000729 |
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Ow4 .4262 .3101 .0815 .019527 .014289 .002189 .006933 .000179 -.000866 |
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Ow51 .184 -.013 .050 .4 .011092 .005045 .004810 .000424 -.002049 -.002090 |
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Ow52 .183 -.008 .066 .6 .015945 .012209 .003391 .008589 .000729 -.001815 |
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O6 .4632 .6373 .0800 .023571 .034394 .002640 .017178 -.000206 .001086 |
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O7 2/3 1/3 .0049 .010245 .010245 .001389 .005123 .000000 .000000 |
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H1 .119 .209 .163 2.0 |
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H2 .144 .564 .165 1.1 |
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H3 .452 .234 .166 1.1 |
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H41 .442 .405 .090 10 |
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H42 .507 .318 .055 10 |
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H51 .251 -.087 .061 8.0 |
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H52 .265 .092 .066 10 |
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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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