Goethite
Gualtieri A, Venturelli P
American Mineralogist 84 (1999) 895-904
In situ study of the goethite-hematite phase transformation by real time
synchrotron powder diffraction
Sample at T = 25 C
_database_code_amcsd 0002226
9.9134 3.0128 4.5800 90 90 90 Pnma
atom x y z Uiso
Fe .1459 .25 -.0486 .049
H -.101 .25 -.399 .06
O1 -.1990 .25 .285 .046
O2 -.0517 .25 -.196 .046
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Goethite
Gualtieri A, Venturelli P
American Mineralogist 84 (1999) 895-904
In situ study of the goethite-hematite phase transformation by real time
synchrotron powder diffraction
Sample at T = 156 C
_database_code_amcsd 0002227
9.9189 3.0148 4.5835 90 90 90 Pnma
atom x y z Uiso
Fe .1459 .25 -.0489 .048
H -.105 .25 -.411 .06
O1 -.1994 .25 .286 .050
O2 -.0499 .25 -.209 .050
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Goethite
Nagai T, Kagi H, Yamanaka T
American Mineralogist 88 (2003) 1423-1427
Variation of hydrogen bonded O...O distances in goethite at high pressure
Sample at P = 0 GPa
_database_code_amcsd 0003165
4.6250 9.9900 3.0370 90 90 90 Pbnm
atom x y z
Fe -.045 .145 .25
O1 .288 -.199 .25
O2 -.198 -.053 .25
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Goethite
Nagai T, Kagi H, Yamanaka T
American Mineralogist 88 (2003) 1423-1427
Variation of hydrogen bonded O...O distances in goethite at high pressure
Sample at P = 0.5 GPa
_database_code_amcsd 0003166
4.6152 9.9870 3.0316 90 90 90 Pbnm
atom x y z
Fe -.0485 .1466 .25
O1 .288 -.1968 .25
O2 -.198 -.0541 .25
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Goethite
Nagai T, Kagi H, Yamanaka T
American Mineralogist 88 (2003) 1423-1427
Variation of hydrogen bonded O...O distances in goethite at high pressure
Sample at P = 2.8 GPa
_database_code_amcsd 0003167
4.5692 9.9428 3.0163 90 90 90 Pbnm
atom x y z
Fe -.0491 .1460 .25
O1 .288 -.1964 .25
O2 -.200 -.0538 .25
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Goethite
Nagai T, Kagi H, Yamanaka T
American Mineralogist 88 (2003) 1423-1427
Variation of hydrogen bonded O...O distances in goethite at high pressure
Sample at P = 6.3 GPa
_database_code_amcsd 0003168
4.5086 9.8759 2.9910 90 90 90 Pbnm
atom x y z
Fe -.0472 .1454 .25
O1 .295 -.1960 .25
O2 -.203 -.0538 .25
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Goethite
Nagai T, Kagi H, Yamanaka T
American Mineralogist 88 (2003) 1423-1427
Variation of hydrogen bonded O...O distances in goethite at high pressure
Sample at P = 9.0 GPa
_database_code_amcsd 0003169
4.4683 9.8334 2.9739 90 90 90 Pbnm
atom x y z
Fe -.0457 .1444 .25
O1 .306 -.1961 .25
O2 -.207 -.0520 .25
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Goethite
Alvarez M, Sileo E E, Rueda E H
American Mineralogist 93 (2008) 584-590
Structure and reactivity of synthetic Co-substituted goethites
Locality: synthetic
Sample: G0, 0 mol% Co
Note: changed OH(x) to match reported bond distances
_database_code_amcsd 0004538
4.6163 9.9564 3.0248 90 90 90 Pbnm
atom x y z
FeMe .0479 -.1459 .25
O -.2916 .1982 .25
OH .1931 .0529 .25
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Goethite
Alvarez M, Sileo E E, Rueda E H
American Mineralogist 93 (2008) 584-590
Structure and reactivity of synthetic Co-substituted goethites
Locality: synthetic
Sample: G3, 3 mol% Co
_database_code_amcsd 0004539
4.6070 9.9472 3.0210 90 90 90 Pbnm
atom x y z occ
FeMe .0473 -.1459 .25 .97
CoMe .0473 -.1459 .25 .03
O -.2862 .1973 .25
OH .1889 .0531 .25
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Goethite
Alvarez M, Sileo E E, Rueda E H
American Mineralogist 93 (2008) 584-590
Structure and reactivity of synthetic Co-substituted goethites
Locality: synthetic
Sample: G5, 5 mol% Co
Note: changed O(x) to match reported bond distances
_database_code_amcsd 0004540
4.5975 9.9395 3.0183 90 90 90 Pbnm
atom x y z occ
FeMe .0479 -.1454 .25 .95
CoMe .0479 -.1454 .25 .05
O -.2929 .1982 .25
OH .1916 .0534 .25
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Goethite
Alvarez M, Sileo E E, Rueda E H
American Mineralogist 93 (2008) 584-590
Structure and reactivity of synthetic Co-substituted goethites
Locality: synthetic
Sample: G7, 7 mol% Co
_database_code_amcsd 0004541
4.5901 9.9309 3.0148 90 90 90 Pbnm
atom x y z occ
FeMe .0474 -.1450 .25 .93
CoMe .0474 -.1450 .25 .07
O -.2941 .1979 .25
OH .1898 .0533 .25
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Goethite
Alvarez M, Sileo E E, Rueda E H
American Mineralogist 93 (2008) 584-590
Structure and reactivity of synthetic Co-substituted goethites
Locality: synthetic
Sample: G10, 10 mol% Co
_database_code_amcsd 0004542
4.5800 9.9198 3.0102 90 90 90 Pbnm
atom x y z occ
FeMe .0493 -.1449 .25 .90
CoMe .0493 -.1449 .25 .10
O -.2905 .1975 .25
OH .1922 .0530 .25
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Goethite
Yang H, Lu R, Downs R T, Costin G
Acta Crystallographica E62 (2006) i250-i252
Goethite, alpha-FeO(OH), from single-crystal data
Locality: Park County, Colorado, USA
_database_code_amcsd 0010471
4.5979 9.9510 3.0178 90 90 90 Pbnm
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe .04892 .85366 .25 .00588 .00664 .00537 .00565 .00004 0 0
O1 .70569 .19914 .25 .00716 .00710 .00727 .00712 .00201 0 0
Oh2 .19871 .05298 .25 .00738 .00687 .00643 .00886 -.00042 0 0
H .37813 .08170 .25 .01942
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Goethite
Hoppe W
Zeitschrift fur Kristallographie 103 (1940) 73-89
Uber die kristallstruktur von alpha-AlOOH (diaspore) und alpha-Fe OOH(nadeleisenerz)
Locality: Synthetic
_database_code_amcsd 0010571
4.59 10.0 3.03 90 90 90 Pbnm
atom x y z
Fe -.045 .146 .25
O1 .310 -.2 .25
O2 -.20 -.047 .25
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Goethite
Goldsztaub M
Bulletin de la Societe Francaise de Mineralogie 58 (1935) 6-76
Etude de quelques derives de l'oxyde ferrique (Fe O * O H, Fe O2 Na, Fe
O Cl) determination de leurs structures.
_cod_database_code 1011087
_database_code_amcsd 0017983
4.64 10. 3.03 90 90 90 Pbnm
atom x y z
O1 .25 .2917 .25
O2 .75 .4583 .25
Fe1 .53 .65 .25
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Goethite
Hazemann J, Berar J, Manceau A
Materials Science Forum 79 (1991) 821-826
Rietveld studies of the aluminium-iron substitution in synthetic
goethite
_cod_database_code 1008766
_database_code_amcsd 0016643
4.6188 9.9528 3.0236 90 90 90 Pbnm
atom x y z
Fe1 .0466 .8552 .25
O1 .714 .2006 .25
O2 .192 .0517 .25
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Goethite
Hazemann J, Berar J, Manceau A
Materials Science Forum 79 (1991) 821-826
Rietveld studies of the aluminium-iron substitution in synthetic
goethite
_cod_database_code 1008767
_database_code_amcsd 0016644
4.6158 9.9545 3.0233 90 90 90 Pbnm
atom x y z
Fe1 .0479 .8542 .75
O1 .708 .1988 .75
O2 .197 .0527 .75
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Goethite
Hazemann J, Berar J, Manceau A
Materials Science Forum 79 (1991) 821-826
Rietveld studies of the aluminium-iron substitution in synthetic
goethite
_cod_database_code 1008768
_database_code_amcsd 0016645
4.6048 9.9595 3.023 90 90 90 Pbnm
atom x y z
Fe1 .0477 .8539 .25
O1 .708 .1996 .25
O2 .204 .0531 .25
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