Hematite
Blake R L, Hessevick R E, Zoltai T, Finger L W
American Mineralogist 51 (1966) 123-129
Refinement of the hematite structure
Locality: Elba, Italy
_database_code_amcsd 0000143
5.038 5.038 13.772 90 90 120 R-3c
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe 0 0 .3553 .0080 .0080 .00029 .0040 0 0
O .3059 0 .25 .0068 .0083 .00046 .0042 .00058 .0012
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Hematite-proto
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 = 313 C
_database_code_amcsd 0002228
5.0145 5.0145 13.692 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .3531 .88 .053
H -.20 .322 -.136 .01 .06
O .316 0 .25 .054
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Hematite-proto
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 = 517 C
_database_code_amcsd 0002229
5.0258 5.0258 13.709 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .3537 .95 .059
H -.146 .321 -.142 .01 .07
O .323 0 .25 .060
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Hematite-proto
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 = 779 C
_database_code_amcsd 0002230
5.041 5.041 13.7251 90 90 120 R-3c
atom x y z occ Uiso
Fe 0 0 .3550 .95 .067
H -.117 .324 -.143 .01 .08
O .313 0 .25 .068
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Hematite
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N
Acta Crystallographica B50 (1994) 435-441
Synchrotron X-ray study of the electron density in alpha-Fe2O3
Locality: synthetic
Note: crystal 1
Note: conventional refinement
_database_code_amcsd 0017806
5.0355 5.0355 13.7471 90 90 120 R-3c
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .35522 .00368 0 .00366 0 0 0
O .69395 0 .25 .00411 .00465 .00434 0 .00052 0
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Hematite
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N
Acta Crystallographica B50 (1994) 435-441
Synchrotron X-ray study of the electron density in alpha-Fe2O3
Locality: synthetic
Note: crystal 2
Note: conventional refinement
_database_code_amcsd 0017807
5.0355 5.0355 13.7471 90 90 120 R-3c
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .35528 .00334 0 .00344 0 0 0
O .69397 0 .25 .00376 .00417 .00416 0 .00059 0
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Hematite
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N
Acta Crystallographica B50 (1994) 435-441
Synchrotron X-ray study of the electron density in alpha-Fe2O3
Locality: synthetic
Note: crystal 2
Note: multipole refinement
_database_code_amcsd 0017808
5.0355 5.0355 13.7471 90 90 120 R-3c
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .35528 .00330 0 .00335 0 0 0
O .69389 0 .25 .00379 .00402 .00426 0 .00056 0
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Hematite
Finger L W, Hazen R M
Journal of Applied Physics 51 (1980) 5362-5367
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
Locality: synthetic
Note: P = 0.001 kbar
_database_code_amcsd 0017731
5.0346 5.0346 13.7473 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .35534 .32
O .3056 0 .25 .40
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Hematite
Finger L W, Hazen R M
Journal of Applied Physics 51 (1980) 5362-5367
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
Locality: synthetic
Note: P = 15.4 kbar
_database_code_amcsd 0017732
5.0249 5.0249 13.7163 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .35539 .37
O .3065 0 .25 .48
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Hematite
Finger L W, Hazen R M
Journal of Applied Physics 51 (1980) 5362-5367
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
Locality: synthetic
Note: P = 31.4 kbar
_database_code_amcsd 0017733
5.0143 5.0143 13.6733 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .35517 .56
O .3051 0 .25 .51
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Hematite
Finger L W, Hazen R M
Journal of Applied Physics 51 (1980) 5362-5367
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
Locality: synthetic
Note: P = 41.6 kbar
_database_code_amcsd 0017734
5.0080 5.0080 13.6467 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .3551 .58
O .304 0 .25 .8
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Hematite
Finger L W, Hazen R M
Journal of Applied Physics 51 (1980) 5362-5367
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
Locality: synthetic
Note: P = 43.9 kbar
_database_code_amcsd 0017735
5.0066 5.0066 13.6411 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .3554 .30
O .3043 0 .25 .51
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Hematite
Finger L W, Hazen R M
Journal of Applied Physics 51 (1980) 5362-5367
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
Locality: synthetic
Note: P = 52.4 kbar
_database_code_amcsd 0017736
5.0020 5.0020 13.6202 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .3552 .46
O .3108 0 .25 .22
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Hematite
Mitra S, Das S, Basu S, Sahu P, Mandal K
Journal of Magnetism and Magnetic Materials 321 (2009) 2925-2931
Shape- and field-dependent Morin transitions in structured alpha-Fe2O3
Note: ellipsoidal model
Locality: synthetic
_database_code_amcsd 0021163
5.0347986 5.0347986 13.76356 90 90 120 R-3c
atom x y z occ Biso
Fe 0 0 .3553 .96 .14
O .3088 0 .25 .97
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Hematite
Mitra S, Das S, Basu S, Sahu P, Mandal K
Journal of Magnetism and Magnetic Materials 321 (2009) 2925-2931
Shape- and field-dependent Morin transitions in structured alpha-Fe2O3
Note: spindle model
Locality: synthetic
_database_code_amcsd 0021164
5.03584 5.03584 13.76262 90 90 120 R-3c
atom x y z occ Biso
Fe 0 0 .3557 .9921 .24
O .3085 0 .25 .91
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Hematite
Mitra S, Das S, Basu S, Sahu P, Mandal K
Journal of Magnetism and Magnetic Materials 321 (2009) 2925-2931
Shape- and field-dependent Morin transitions in structured alpha-Fe2O3
Note: flattened model
Locality: synthetic
_database_code_amcsd 0021165
5.03275 5.03275 13.75288 90 90 120 R-3c
atom x y z occ Biso
Fe 0 0 .3555 .9787 .25
O .3033 0 .25 .84
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Hematite
Mitra S, Das S, Basu S, Sahu P, Mandal K
Journal of Magnetism and Magnetic Materials 321 (2009) 2925-2931
Shape- and field-dependent Morin transitions in structured alpha-Fe2O3
Note: rhombohedral model
Locality: synthetic
_database_code_amcsd 0021166
5.03502 5.03502 13.7660 90 90 120 R-3c
atom x y z occ Biso
Fe 0 0 .3554 .9934 .68
O .3082 0 .25 .95
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Hematite
Pailhe N, Wattiaux A, Gaudon M, Demourgues A
Journal of Solid State Chemistry 181 (2008) 2697-2704
Impact of structural features on pigment properties of alpha-Fe2O3 haematite
Note: annealed at 400 C
Locality: synthetic
_database_code_amcsd 0021158
5.03459 5.03459 13.7533 90 90 120 R-3c
atom x y z occ Biso
Fe 0 0 .35496 .991 .35
O .3088 0 .25 .74
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Hematite
Pailhe N, Wattiaux A, Gaudon M, Demourgues A
Journal of Solid State Chemistry 181 (2008) 2697-2704
Impact of structural features on pigment properties of alpha-Fe2O3 haematite
Note: annealed at 600 C
Locality: synthetic
_database_code_amcsd 0021159
5.03506 5.03506 13.75053 90 90 120 R-3c
atom x y z occ Biso
Fe 0 0 .35520 .994 .35
O .3069 0 .25 .74
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Hematite
Pailhe N, Wattiaux A, Gaudon M, Demourgues A
Journal of Solid State Chemistry 181 (2008) 2697-2704
Impact of structural features on pigment properties of alpha-Fe2O3 haematite
Note: annealed at 800 C
Locality: synthetic
_database_code_amcsd 0021160
5.03594 5.03594 13.74439 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .35528 .35
O .3071 0 .25 .74
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Hematite
Pailhe N, Wattiaux A, Gaudon M, Demourgues A
Journal of Solid State Chemistry 181 (2008) 2697-2704
Impact of structural features on pigment properties of alpha-Fe2O3 haematite
Note: hydrothermal synthesis
Locality: synthetic
_database_code_amcsd 0021161
5.03576 5.03576 13.80238 90 90 120 R-3c
atom x y z occ Biso
Fe 0 0 .35408 .883 .35
O .3127 0 .25 .74
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Hematite
Pailhe N, Wattiaux A, Gaudon M, Demourgues A
Journal of Solid State Chemistry 181 (2008) 2697-2704
Impact of structural features on pigment properties of alpha-Fe2O3 haematite
Note: commercial Aldrich-99+%-no31,005-0
Locality: synthetic
_database_code_amcsd 0021162
5.03582 5.03582 13.75026 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .35537 .35
O .3073 0 .25 .74
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Hematite
Pauling L, Hendricks S B
Journal of the American Chemical Society 47 (1925) 781-790
Crystal structures of hematite and corundum
Locality: natural
_database_code_amcsd 0014076
5.420 5.420 5.420 55.28 55.28 55.28 R-3c
atom x y z
Fe .355 .355 .355
O .542 -.042 .25
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Hematite
Yu S C, Lee J S, Tung S F, Lan C L
Journal of the Geological Society of China 42 (1999) 349-358
Synthesis and structural features of a flux-grown hematite
Note: crystal 1
Locality: synthetic
_database_code_amcsd 0021154
5.0206 5.0206 13.7196 90 90 120 R-3c
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .35529 .37 .0056 .0056 .0029 .0028 0 0
O .6953 0 .25 .48 .0064 .0064 .0048 .0028 -.0002 .0002
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Hematite
Yu S C, Lee J S, Tung S F, Lan C L
Journal of the Geological Society of China 42 (1999) 349-358
Synthesis and structural features of a flux-grown hematite
Note: crystal 2
Locality: synthetic
_database_code_amcsd 0021155
5.0230 5.0230 13.708 90 90 120 R-3c
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .3553 .39 .0070 .0070 .0020 .0030 0 0
O .6940 0 .25 .47 .0070 .0080 .0040 .0040 .000 .0010
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Hematite
Sawada H
Materials Research Bulletin 31 (1996) 141-146
An electron density residual study of alpha-ferric oxide
Locality: unknown natural
_database_code_amcsd 0021157
5.0353 5.0353 13.7495 90 90 120 R-3c
atom x y z Biso
Fe 0 0 .355290 .349
O .30609 0 .25 .40
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Hematite
Kelm K, Mader W
Zeitschrift fur Anorganische und Allgemeine Chemie 631 (2005) 2383-2389
Synthesis and structural analysis of epsilon-Fe2O3
Locality: synthetic
_database_code_amcsd 0021156
5.0259 5.0259 13.735 90 90 120 R-3c
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe 0 0 .3553 .032
O .3059 0 .25 .0063326 .0064208 .0079084 .003154 .0039926 .0015144 .003483
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