Ferrihydrite
Jansen E, Kyek A, Schafer W, Schwertmann U
Applied Physics A74 (2002) S1004-S1006
The structure of six-line ferrihydrite
Locality: synthetic
Sample: defective refinement
_database_code_amcsd 0012028
2.955 2.955 9.37 90 90 120 P3
atom x y z occ
Fe1 1/3 2/3 .163 .24
Fe2 1/3 2/3 .337 .24
Fe3 1/3 2/3 .663 .24
Fe4 1/3 2/3 .837 .24
O1 0 0 0
O2 2/3 1/3 .5
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Ferrihydrite
Jansen E, Kyek A, Schafer W, Schwertmann U
Applied Physics A74 (2002) S1004-S1006
The structure of six-line ferrihydrite
Locality: synthetic
Sample: defect-free refinement
_database_code_amcsd 0012029
2.955 2.955 9.37 90 90 120 P-31c
atom x y z occ
Fe 1/3 2/3 .136 .39
O1 0 0 0 .19
O2 2/3 1/3 .25
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Ferrihydrite
Harrison P M, Fischbach F A, Hoy T G, Haggis G M
Nature 216 (1967) 1188-1190
Ferric oxyhydroxide core of ferritin
Locality: core of the natural protein ferritin
_database_code_amcsd 0021211
2.94 2.94 9.40 90 90 120 P3
atom x y z occ Biso
FeO1 1/3 2/3 .125 1/6 7.5
FeO2 1/3 2/3 .375 1/6 7.5
FeO3 2/3 1/3 .625 1/6 7.5
FeO4 2/3 1/3 .875 1/6 7.5
FeT1 0 0 .1806 1/6 7.5
FeT2 0 0 .3194 1/6 7.5
FeT3 0 0 .6806 1/6 7.5
FeT4 0 0 .8194 1/6 7.5
FeT5 2/3 1/3 .0694 1/6 7.5
FeT6 2/3 1/3 .4306 1/6 7.5
FeT7 1/3 2/3 .5694 1/6 7.5
FeT8 1/3 2/3 .9306 1/6 7.5
O1 0 0 0 .5 7.5
OH1 0 0 0 .5 7.5
O2 0 0 .5 .5 7.5
OH2 0 0 .5 .5 7.5
O3 2/3 1/3 .25 .5 7.5
OH3 2/3 1/3 .25 .5 7.5
O4 1/3 2/3 .75 .5 7.5
OH4 1/3 2/3 .75 .5 7.5
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Ferrihydrite
Michel F M, Ehm L, Antao S M, Lee P L, Chupas P J, Liu G, Strongin D R,
Schoonen M A A, Phillips B L, Parise J B
Science 316 (2007) 1726-1729
The structure of ferrihydrite, a nanocrystalline material
Locality: synthetic
Sample: Fhyd6
_database_code_amcsd 0015439
5.928 5.928 9.126 90 90 120 P6_3mc
atom x y z occ Uiso
Fe1 .1695 .8304 .6365 .011
Fe2 1/3 2/3 .3379 .97 .011
Fe3 1/3 2/3 .9595 .96 .011
OH1 0 0 .0446 .007
O2 1/3 2/3 .7634 .007
O3 .1697 .8302 .2467 .007
O4 .5227 .4773 .9796 .007
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Ferrihydrite
Michel F M, Ehm L, Antao S M, Lee P L, Chupas P J, Liu G, Strongin D R,
Schoonen M A A, Phillips B L, Parise J B
Science 316 (2007) 1726-1729
The structure of ferrihydrite, a nanocrystalline material
Locality: synthetic
Sample: Fhyd3
_database_code_amcsd 0015440
5.953 5.953 9.096 90 90 120 P6_3mc
atom x y z occ Uiso
Fe1 .1688 .8311 .6358 .010
Fe2 1/3 2/3 .3347 .94 .010
Fe3 1/3 2/3 .9600 .93 .010
OH1 0 0 .0460 .008
O2 1/3 2/3 .7651 .008
O3 .1670 .8329 .2457 .008
O4 .5258 .4742 .9778 .008
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Ferrihydrite
Michel F M, Ehm L, Antao S M, Lee P L, Chupas P J, Liu G, Strongin D R,
Schoonen M A A, Phillips B L, Parise J B
Science 316 (2007) 1726-1729
The structure of ferrihydrite, a nanocrystalline material
Locality: synthetic
Sample: Fhyd2
_database_code_amcsd 0015441
5.958 5.958 8.965 90 90 120 P6_3mc
atom x y z occ Uiso
Fe1 .1688 .8312 .6356 1.01 .008
Fe2 1/3 2/3 .3414 .90 .008
Fe3 1/3 2/3 .9538 .85 .008
OH1 0 0 .0147 .014
O2 1/3 2/3 .7353 .014
O3 .1671 .8329 .2547 .014
O4 .5238 .4762 .0053 .014
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