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Schwertmannite |
 |
Fernandez-Martinez A, Timon V, Roman-Ross G, Cuello G J, Daniels J E, Ayora C |
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American Mineralogist 95 (2010) 1312-1322 |
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The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate |
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Note: Model 1, positions of sulfate groups not determined |
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Locality: Monte Romero mine (Iberian Pyrite Belt), Spain |
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_database_code_amcsd 0018670 |
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10.821 6.002 10.514 90.0 92.6 90.0 P1 |
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atom x y z Uiso |
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Fe .345 0 .152 .002 |
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Fe .140 0 .645 .002 |
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O .288 0 .322 .009 |
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O .043 0 .336 .009 |
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O .335 0 .690 .009 |
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O .325 0 .946 .009 |
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Fe .857 .25 .611 .002 |
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Fe .700 .25 .093 .002 |
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O .787 .25 .796 .009 |
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O .540 .25 .810 .009 |
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O .861 .25 .159 .009 |
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O .824 .25 .419 .009 |
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Fe .669 0 .811 .002 |
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Fe .866 0 .320 .002 |
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O .711 0 .626 .009 |
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O .956 0 .612 .009 |
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O .664 0 .260 .009 |
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O .674 0 .002 .009 |
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Fe .151 .25 .352 .002 |
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Fe .344 .25 .840 .002 |
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O .211 .25 .152 .009 |
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O .456 .25 .138 .009 |
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O .165 .25 .786 .009 |
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O .175 .25 .527 .009 |
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Fe .337 .5 .142 .002 |
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Fe .144 .5 .648 .002 |
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O .288 .5 .322 .009 |
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O .043 .5 .336 .009 |
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O .335 .5 .690 .009 |
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O .325 .5 .946 .009 |
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Fe .846 .75 .606 .002 |
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Fe .696 .75 .095 .002 |
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O .787 .75 .796 .009 |
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O .542 .75 .810 .009 |
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O .857 .75 .157 .009 |
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O .824 .75 .419 .009 |
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Fe .666 .5 .804 .002 |
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Fe .865 .5 .322 .002 |
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O .711 .5 .626 .009 |
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O .956 .5 .612 .009 |
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O .664 .5 .260 .009 |
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O .674 .5 .002 .009 |
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Fe .153 .75 .338 .002 |
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Fe .363 .75 .835 .002 |
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O .211 .75 .150 .009 |
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O .456 .75 .138 .009 |
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O .165 .75 .786 .009 |
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O .175 .75 .528 .009 |
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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) |
| |
|
Schwertmannite |
|
Fernandez-Martinez A, Timon V, Roman-Ross G, Cuello G J, Daniels J E, Ayora C |
|
American Mineralogist 95 (2010) 1312-1322 |
|
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate |
|
Note: Model 2, positions of sulfate groups not determined |
|
Locality: Monte Romero mine (Iberian Pyrite Belt), Spain |
|
_database_code_amcsd 0018671 |
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10.821 6.002 10.514 90.0 92.6 90.0 P1 |
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atom x y z Uiso |
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Fe .345 0 .122 .002 |
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Fe .150 0 .626 .002 |
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O .288 0 .307 .009 |
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O .052 0 .334 .009 |
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O .334 0 .67 .009 |
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O .324 0 .929 .009 |
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Fe .883 .25 .560 .002 |
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Fe .710 .25 .054 .002 |
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O .786 .25 .756 .009 |
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O .541 .25 .782 .009 |
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O .866 .25 .126 .009 |
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O .822 .25 .378 .009 |
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Fe .688 0 .770 .002 |
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Fe .897 0 .266 .002 |
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O .709 0 .590 .009 |
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O .964 0 .563 .009 |
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O .690 0 .208 .009 |
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O .691 0 .959 .009 |
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Fe .158 .25 .323 .002 |
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Fe .338 .25 .835 .002 |
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O .211 .25 .141 .009 |
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O .455 .25 .115 .009 |
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O .164 .25 .777 .009 |
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O .174 .25 .519 .009 |
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Fe .328 .5 .117 .002 |
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Fe .155 .5 .624 .002 |
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O .287 .5 .307 .009 |
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O .042 .5 .333 .009 |
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O .335 .5 .671 .009 |
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O .324 .5 .929 .009 |
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Fe .841 .75 .554 .002 |
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Fe .845 .75 .956 .002 |
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O .786 .75 .765 .009 |
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O .541 .75 .782 .009 |
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O .854 .75 .138 .009 |
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O .822 .75 .378 .009 |
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Fe .668 .5 .771 .002 |
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Fe .867 .5 .271 .002 |
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O .709 .5 .590 .009 |
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O .964 .5 .563 .009 |
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O .691 .5 .959 .009 |
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Fe .147 .75 .322 .002 |
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Fe .353 .75 .821 .002 |
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O .211 .75 .141 .009 |
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O .455 .75 .115 .009 |
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O .164 .75 .777 .009 |
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O .174 .75 .519 .009 |
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O .969 .5 .958 .009 |
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O .969 0 .958 .009 |
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O .690 .5 .213 .009 |
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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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