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Akaganeite |
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Post J E, Buchwald V F |
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American Mineralogist 76 (1991) 272-277 |
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Crystal structure refinement of akaganeite |
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Locality: corrosion crust on the Camp del Cielo meteorite |
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_database_code_amcsd 0001349 |
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10.600 3.0339 10.513 90 90.24 90 I2/m |
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atom x y z occ Biso |
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Fe1 .858 0 .341 0.5 |
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Fe2 .339 0 .141 0.5 |
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O1 .663 0 .290 0.8 |
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O2 .657 0 .030 0.8 |
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O3 .293 0 .357 0.8 |
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O4 .039 0 .332 0.8 |
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Cl 0 0 0 .675 2.0 |
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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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Akaganeite |
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Post J E, Heaney P J, Von Dreele R B, Hanson J C |
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American Mineralogist 88 (2003) 782-788 |
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Neutron and temperature-resolved synchrotron X-ray powder diffraction |
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study of akaganeite |
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_database_code_amcsd 0003079 |
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10.587 3.0311 10.515 90 90.03 90 I2/m |
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atom x y z occ Uiso |
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Fe1 .8544 0 .3424 .0167 |
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Fe2 .3452 0 .1450 .0167 |
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O1 .663 0 .2883 .0122 |
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O2 .662 0 .0429 .0122 |
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O3 .2946 0 .3351 .0122 |
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O4 .0374 0 .325 .0122 |
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Cl 0 .132 0 .42 .075 |
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H1 .367 .098 .626 .5 .009 |
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H2 .348 .056 .405 .5 .009 |
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H3 -.105 0 .122 .32 .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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Akaganeite |
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Demourgues A, Wattiaux A |
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Journal of Fluorine Chemistry 132 (2011) 690-697 |
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Investigation of Fe-based oxyhydroxy-fluoride with hollandite-type structure |
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Locality: synthetic |
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_database_code_amcsd 0021057 |
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10.447 3.028 10.445 90 90.00 90 I2/m |
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atom x y z occ Biso |
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Fe1 .8656 0 .3429 .686 |
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Fe2 .3424 0 .1540 .722 |
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O1 .8493 .5 .2111 .809 |
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H1 .608 .078 .383 .15 1.0 |
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F2 .8455 .5 .4670 .70 .508 |
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O2 .8455 .5 .4670 .30 .508 |
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O3 .2002 .5 .1633 .627 |
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H3 .372 .077 .429 .15 1.0 |
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F4 .0469 0 .3278 .70 .508 |
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O4 .0469 0 .3278 .30 .508 |
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Wat5 0 .5 0 .70 1.5 |
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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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Akaganeite |
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Mackay A L |
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Mineralogical Magazine 32 (1960) 545-557 |
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Beta-ferric oxyhydroxide |
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Locality: synthetic |
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_database_code_amcsd 0021056 |
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10.48 10.48 3.023 90 90 90 I4/m |
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atom x y z occ |
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Fe .348 .167 0 |
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O .153 .180 0 .46 |
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OH .153 .180 0 .54 |
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OH .542 .167 0 .54 |
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O .542 .167 0 .46 |
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Cl 0 0 .5 .325 |
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Wat 0 0 .5 .675 |
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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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