American Mineralogist Crystal Structure Database

85 matching records for this search.

Magnetite
Download hom/magnetite.pdf
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
Note: Sample ID: MT100-1350
Locality: synthetic
_database_code_amcsd 0000945
8.3958 8.3958 8.3958 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
FeA   .125  .125  .125 0.37
FeB     .5    .5    .5 0.47
O    .2547 .2547 .2547 0.64
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 0 GPa
Locality: synthetic
_database_code_amcsd 0002400
8.3965 8.3965 8.3965 90 90 90 *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2549 .2549 .2549
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 1.4 GPa
Locality: synthetic
_database_code_amcsd 0002401
8.3837 8.3837 8.3837 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2554 .2554 .2554
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 2.3 GPa
Locality: synthetic
_database_code_amcsd 0002402
8.3685 8.3685 8.3685 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2550 .2550 .2550
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 3.4 GPa
Locality: synthetic
_database_code_amcsd 0002403
8.3517 8.3517 8.3517 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2548 .2548 .2548
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 6.6 GPa
Locality: synthetic
_database_code_amcsd 0002404
8.3122 8.3122 8.3122 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2549 .2549 .2549
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 8.3 GPa
Locality: synthetic
_database_code_amcsd 0002405
8.2966 8.2966 8.2966 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2549 .2549 .2549
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 11.3 GPa
Locality: synthetic
_database_code_amcsd 0002406
8.2626 8.2626 8.2626 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2549 .2549 .2549
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 12.5 GPa
Locality: synthetic
_database_code_amcsd 0002407
8.2547 8.2547 8.2547 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2547 .2547 .2547
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 13.5 GPa
Locality: synthetic
_database_code_amcsd 0002408
8.2396 8.2396 8.2396 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2543 .2543 .2543
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 15.7 GPa
Locality: synthetic
_database_code_amcsd 0002409
8.2321 8.2321 8.2321 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2548 .2548 .2548
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 17.5 GPa
Locality: synthetic
_database_code_amcsd 0002410
8.2140 8.2140 8.2140 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2552 .2552 .2552
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 19.4 GPa
Locality: synthetic
_database_code_amcsd 0002411
8.1891 8.1891 8.1891 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2555 .2555 .2555
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 21.8 GPa
Locality: synthetic
_database_code_amcsd 0002412
8.1710 8.1710 8.1710 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2553 .2553 .2553
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 24.2 GPa
Locality: synthetic
_database_code_amcsd 0002413
8.1509 8.1509 8.1509 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2554 .2554 .2554
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 26.9 GPa
Locality: synthetic
_database_code_amcsd 0002414
8.1177 8.1177 8.1177 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2549 .2549 .2549
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at P = 30.3 GPa
Locality: synthetic
_database_code_amcsd 0002415
8.0636 8.0636 8.0636 90 90 90  *Fd3m
.125 .125 .125
atom         x     y     z
Fe(tet)   .125  .125  .125
Fe(oct)     .5    .5    .5
O        .2527 .2527 .2527
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite-h
 
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D
Download am/vol85/AM85_514.pdf
American Mineralogist 85 (2000) 514-523
Equation of state of magnetite and its high-pressure modification:
Thermodynamics of the Fe-O system at high pressure
Sample at 40 GPa, CaTi2O4 structure type
Locality: synthetic
_database_code_amcsd 0002416
9.273 9.239 2.746 90 90 90 Bbmm
atom        x    y z
Fe1      .375  .25 0
Fe2(oct) .135 .087 0
O1       .005  .25 0
O2       .214 .605 0
O3         .5    0 0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Fjellvag H, Hauback B C, Vogt T, Stolen S
Download am/vol87/AM87_347.pdf
American Mineralogist 87 (2002) 347-349
Monoclinic nearly stoichiometric wustite at low temperatures
Sample: BNL, T = 10 K
_database_code_amcsd 0002762
8.3851 8.3851 8.3851 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
FeA   .125  .125  .125 0.37
FeB     .5    .5    .5 0.47
O    .2534 .2534 .2534 0.64
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Fjellvag H, Hauback B C, Vogt T, Stolen S
Download am/vol87/AM87_347.pdf
American Mineralogist 87 (2002) 347-349
Monoclinic nearly stoichiometric wustite at low temperatures
Sample: Kjeller, T = 8 K
_database_code_amcsd 0002763
8.3858 8.3858 8.3858 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
FeA   .125  .125  .125 0.37
FeB     .5    .5    .5 0.47
O    .2548 .2548 .2548 0.64
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: Mgt100
_database_code_amcsd 0004815
8.3967 8.3967 8.3967 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeT   .125   .125   .125  .0056  .0056  .0056      0      0      0
FeM     .5     .5     .5  .0071  .0071  .0071 .00072 .00072 .00072
O   .25476 .25476 .25476  .0072  .0072  .0072 -.0005 -.0005 -.0005
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi10C
_database_code_amcsd 0004816
8.4067 8.4067 8.4067 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeT   .125   .125   .125      .00506 .00506 .00506      0      0      0
FeM     .5     .5     .5 .952 .00663 .00663 .00663 .00100 .00100 .00100
TiM     .5     .5     .5 .048 .00663 .00663 .00663 .00100 .00100 .00100
O   .25496 .25496 .25496       .0069  .0069  .0069 -.0008 -.0008 -.0008
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi50B
_database_code_amcsd 0004817
8.4095 8.4095 8.4095 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeT   .125   .125   .125       .0059  .0059  .0059      0      0      0
FeM     .5     .5     .5 .951 .00735 .00735 .00735 .00092 .00092 .00092
TiM     .5     .5     .5 .049 .00735 .00735 .00735 .00092 .00092 .00092
O   .25502 .25502 .25502       .0078  .0078  .0078 -.0007 -.0007 -.0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi10Ai
_database_code_amcsd 0004818
8.4145 8.4145 8.4145 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeT   .125   .125   .125       .0038  .0038  .0038      0      0      0
FeM     .5     .5     .5 .907 .00534 .00534 .00534 .00103 .00103 .00103
TiM     .5     .5     .5 .093 .00534 .00534 .00534 .00103 .00103 .00103
O   .25502 .25502 .25502       .0057  .0057  .0057 -.0006 -.0006 -.0006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi10Ao
_database_code_amcsd 0004819
8.4250 8.4250 8.4250 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeT   .125   .125   .125       .0092  .0092  .0092      0      0      0
FeM     .5     .5     .5 .879  .0107  .0107  .0107 .00092 .00092 .00092
TiM     .5     .5     .5 .121  .0107  .0107  .0107 .00092 .00092 .00092
O   .25535 .25535 .25535       .0115  .0115  .0115 -.0007 -.0007 -.0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi20A
_database_code_amcsd 0004820
8.4348 8.4348 8.4348 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeT   .125   .125   .125       .0045  .0045  .0045      0      0      0
FeM     .5     .5     .5 .823  .0050  .0050  .0050 .00068 .00068 .00068
TiM     .5     .5     .5 .177  .0050  .0050  .0050 .00068 .00068 .00068
O   .25596 .25596 .25596       .0073  .0073  .0073 -.0006 -.0006 -.0006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi30A
_database_code_amcsd 0004821
8.4569 8.4569 8.4569 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeT   .125   .125   .125       .0059  .0059  .0059      0      0      0
FeM     .5     .5     .5 .769 .00591 .00591 .00591 .00043 .00043 .00043
TiM     .5     .5     .5 .231 .00591 .00591 .00591 .00043 .00043 .00043
O   .25660 .25660 .25660       .0087  .0087  .0087 -.0004 -.0004 -.0004
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 0.0001 GPa
Locality: synthetic
_database_code_amcsd 0020645
8.394 8.394 8.394 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2549 .2549 .2549
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 2.9 GPa
Locality: synthetic
_database_code_amcsd 0020646
8.350 8.350 8.350 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2554 .2554 .2554
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 4.4 GPa
Locality: synthetic
_database_code_amcsd 0020647
8.328 8.328 8.328 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2551 .2551 .2551
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Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 6.3 GPa
Locality: synthetic
_database_code_amcsd 0020648
8.304 8.304 8.304 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2547 .2547 .2547
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Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 8.6 GPa
Locality: synthetic
_database_code_amcsd 0020649
8.272 8.272 8.272 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2555 .2555 .2555
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 10.0 GPa
Locality: synthetic
_database_code_amcsd 0020650
8.261 8.261 8.261 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2550 .2550 .2550
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Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 11.0 GPa
Locality: synthetic
_database_code_amcsd 0020651
8.249 8.249 8.249 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2553 .2553 .2553
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 12.1 GPa
Locality: synthetic
_database_code_amcsd 0020652
8.236 8.236 8.236 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2554 .2554 .2554
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 12.9 GPa
Locality: synthetic
_database_code_amcsd 0020653
8.225 8.225 8.225 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2554 .2554 .2554
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 14.4 GPa
Locality: synthetic
_database_code_amcsd 0020654
8.207 8.207 8.207 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2552 .2552 .2552
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 15.1 GPa
Locality: synthetic
_database_code_amcsd 0020655
8.198 8.198 8.198 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2554 .2554 .2554
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 16.0 GPa
Locality: synthetic
_database_code_amcsd 0020656
8.184 8.184 8.184 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2551 .2551 .2551
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 17.0 GPa
Locality: synthetic
_database_code_amcsd 0020657
8.174 8.174 8.174 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2543 .2543 .2543
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Magnetite
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Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 18.1 GPa
Locality: synthetic
_database_code_amcsd 0020658
8.158 8.158 8.158 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2547 .2547 .2547
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Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 19.1 GPa
Locality: synthetic
_database_code_amcsd 0020659
8.149 8.149 8.149 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2548 .2548 .2548
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Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 20.0 GPa
Locality: synthetic
_database_code_amcsd 0020660
8.138 8.138 8.138 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2543 .2543 .2543
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Magnetite
Download hom/magnetite.pdf
Glazyrin K, McCammon C, Dubrovinsky L, Merlini M, Schollenbruch K, Woodland A,
Hanfland M
 
American Mineralogist 97 (2012) 128-133
Effect of high pressure on the crystal structure and electronic properties
of magnetite below 25 GPa
Note: P = 21.1 GPa
Locality: synthetic
_database_code_amcsd 0020661
8.125 8.125 8.125 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z
Fe1     .5    .5    .5
Fe2   .125  .125  .125
O    .2542 .2542 .2542
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Magnetite
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Stout M Z, Bayliss P
Download cm/vol18/CM18_339.pdf
The Canadian Mineralogist 18 (1980) 339-341
Crystal structure of two ferrian ulvospinels from British Columbia
Note: sample NR5
Locality: Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada
_database_code_amcsd 0005178
8.481 8.481 8.481 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z  occ Biso
FeT   .125  .125  .125  .93  .84
TiT   .125  .125  .125  .07  .84
FeO     .5    .5    .5 .565  .64
MnO     .5    .5    .5  .01  .64
VO      .5    .5    .5 .005  .64
TiO     .5    .5    .5  .33  .64
CaO     .5    .5    .5 .005  .64
SiO     .5    .5    .5 .005  .64
AlO     .5    .5    .5  .03  .64
MgO     .5    .5    .5  .05  .64
O    .2599 .2599 .2599      1.04
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Magnetite
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Stout M Z, Bayliss P
Download cm/vol18/CM18_339.pdf
The Canadian Mineralogist 18 (1980) 339-341
Crystal structure of two ferrian ulvospinels from British Columbia
Note: sample IM7
Locality: Itcha Mountain hawaiite lava flow, central British Columbia, Canada
_database_code_amcsd 0005179
8.504 8.504 8.504 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z  occ Biso
FeT   .125  .125  .125       .92
FeO     .5    .5    .5  .55   .8
MnO     .5    .5    .5  .01   .8
VO      .5    .5    .5 .005   .8
TiO     .5    .5    .5  .37   .8
CaO     .5    .5    .5 .005   .8
SiO     .5    .5    .5 .005   .8
AlO     .5    .5    .5 .025   .8
MgO     .5    .5    .5  .03   .8
O    .2595 .2595 .2595      1.18
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Magnetite
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Finger L W, Hazen R M, Hofmeister A M
 
Physics and Chemistry of Minerals 13 (1986) 215-220
High-pressure crystal chemistry of spinel (MgAl2O4)
and magnetite (Fe3O4): comparisons with silicate spinels
Sample: P = 0.001 kbar
_database_code_amcsd 0007394
8.3778 8.3778 8.3778 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeA   .125  .125  .125  .60  .0022  .0022  .0022      0      0      0
FeB     .5    .5    .5  .70  .0025  .0025  .0025  .0001  .0001  .0001
O    .2550 .2550 .2550  .73  .0026  .0026  .0026  .0001  .0001  .0001
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Magnetite
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Finger L W, Hazen R M, Hofmeister A M
 
Physics and Chemistry of Minerals 13 (1986) 215-220
High-pressure crystal chemistry of spinel (MgAl2O4)
and magnetite (Fe3O4): comparisons with silicate spinels
Sample: P = 13 kbar
_database_code_amcsd 0007395
8.3578 8.3578 8.3578 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeA   .125  .125  .125  .61  .0023  .0023  .0023      0      0      0
FeB     .5    .5    .5  .69  .0025  .0025  .0025  .0001  .0001  .0001
O    .2549 .2549 .2549  .78  .0028  .0028  .0028  .0002  .0002  .0002
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Magnetite
Download hom/magnetite.pdf
Finger L W, Hazen R M, Hofmeister A M
 
Physics and Chemistry of Minerals 13 (1986) 215-220
High-pressure crystal chemistry of spinel (MgAl2O4)
and magnetite (Fe3O4): comparisons with silicate spinels
Sample: P = 26 kbar
_database_code_amcsd 0007396
8.339 8.339 8.339 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeA   .125  .125  .125  .51  .0018  .0018  .0018      0      0      0
FeB     .5    .5    .5  .61  .0022  .0022  .0022  .0002  .0002  .0002
O    .2547 .2547 .2547  .69  .0025  .0025  .0025  .0001  .0001  .0001
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Magnetite
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Finger L W, Hazen R M, Hofmeister A M
 
Physics and Chemistry of Minerals 13 (1986) 215-220
High-pressure crystal chemistry of spinel (MgAl2O4)
and magnetite (Fe3O4): comparisons with silicate spinels
Sample: P = 39 kbar
_database_code_amcsd 0007397
8.3199 8.3199 8.3199 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeA   .125  .125  .125  .57  .0021  .0021  .0021      0      0      0
FeB     .5    .5    .5  .64  .0023  .0023  .0023  .0002  .0002  .0002
O    .2549 .2549 .2549  .70  .0025  .0025  .0025 -.0004 -.0004 -.0004
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Magnetite
Download hom/magnetite.pdf
Finger L W, Hazen R M, Hofmeister A M
 
Physics and Chemistry of Minerals 13 (1986) 215-220
High-pressure crystal chemistry of spinel (MgAl2O4)
and magnetite (Fe3O4): comparisons with silicate spinels
Sample: P = 45 kbar
_database_code_amcsd 0007398
8.3153 8.3153 8.3153 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeA   .125  .125  .125  .50  .0018  .0018  .0018      0      0      0
FeB     .5    .5    .5  .58  .0021  .0021  .0021 -.0001 -.0001 -.0001
O    .2551 .2551 .2551  .62  .0022  .0022  .0022  .0008  .0008  .0008
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Magnetite
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Nakagiri N, Manghnani M H, Ming L C, Kimura S
 
Physics and Chemistry of Minerals 13 (1986) 238-244
Crystal structure of magnetite under pressure
Sample: P = 0.0001 GPa
_database_code_amcsd 0007418
8.3949 8.3949 8.3949 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
Fe    .125  .125  .125  .34
Fe      .5    .5    .5  .46
O    .2549 .2549 .2549  .49
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Magnetite
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Nakagiri N, Manghnani M H, Ming L C, Kimura S
 
Physics and Chemistry of Minerals 13 (1986) 238-244
Crystal structure of magnetite under pressure
Sample: P = .63 GPa
_database_code_amcsd 0007419
8.3862 8.3862 8.3862 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
Fe    .125  .125  .125  .90
Fe      .5    .5    .5 1.09
O    .2539 .2539 .2539  .54
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Magnetite
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Nakagiri N, Manghnani M H, Ming L C, Kimura S
 
Physics and Chemistry of Minerals 13 (1986) 238-244
Crystal structure of magnetite under pressure
Sample: P = 1.55 GPa
_database_code_amcsd 0007420
8.3740 8.3740 8.3740 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
Fe    .125  .125  .125  .85
Fe      .5    .5    .5 1.04
O    .2540 .2540 .2540  .76
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Magnetite
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Nakagiri N, Manghnani M H, Ming L C, Kimura S
 
Physics and Chemistry of Minerals 13 (1986) 238-244
Crystal structure of magnetite under pressure
Sample: P = 2.09 GPa
_database_code_amcsd 0007421
8.3656 8.3656 8.3656 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
Fe    .125  .125  .125  .91
Fe      .5    .5    .5 1.17
O    .2537 .2537 .2537  .27
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Magnetite
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Nakagiri N, Manghnani M H, Ming L C, Kimura S
 
Physics and Chemistry of Minerals 13 (1986) 238-244
Crystal structure of magnetite under pressure
Sample: P = 2.76 GPa
_database_code_amcsd 0007422
8.3557 8.3557 8.3557 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
Fe    .125  .125  .125  .77
Fe      .5    .5    .5  .83
O    .2547 .2547 .2547 1.22
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Magnetite
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Nakagiri N, Manghnani M H, Ming L C, Kimura S
 
Physics and Chemistry of Minerals 13 (1986) 238-244
Crystal structure of magnetite under pressure
Sample: P = 3.67 GPa
_database_code_amcsd 0007423
8.3440 8.3440 8.3440 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
Fe    .125  .125  .125  .85
Fe      .5    .5    .5 1.27
O    .2535 .2535 .2535  .27
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Magnetite
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Nakagiri N, Manghnani M H, Ming L C, Kimura S
 
Physics and Chemistry of Minerals 13 (1986) 238-244
Crystal structure of magnetite under pressure
Sample: P = 4.44 GPa
_database_code_amcsd 0007424
8.3332 8.3332 8.3332 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
Fe    .125  .125  .125  .86
Fe      .5    .5    .5 1.04
O    .2540 .2540 .2540  .89
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: Fe3O4, results from data collected at UCLA (CuKalpha radiation)
Locality: synthetic
_database_code_amcsd 0007766
8.3970 8.3970 8.3970 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .40
FeM     .5    .5    .5  .53
O    .2551 .2551 .2551  .78
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: Fe3O4, results from data collected at BGI (MoKalpha1) radiation)
Locality: synthetic
_database_code_amcsd 0007771
8.3970 8.3970 8.3970 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .53
FeM     .5    .5    .5  .66
O    .2552 .2552 .2552  .81
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: 2B model, Fe3O4
Locality: synthetic
_database_code_amcsd 0007776
8.3970 8.3970 8.3970 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .61
FeM     .5    .5    .5  .61
O    .2551 .2551 .2551  .83
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: 1B model, Fe3O4
Locality: synthetic
_database_code_amcsd 0007781
8.3970 8.3970 8.3970 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .62
FeM     .5    .5    .5  .62
O    .2559 .2559 .2559  .62
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: Fe3O4, original background
Locality: synthetic
_database_code_amcsd 0007824
8.3970 8.3970 8.3970 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .38
FeM     .5    .5    .5  .55
O    .2550 .2550 .2550  .54
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: Fe3O4, original background less 7 to 18 degrees 2 theta
Locality: synthetic
_database_code_amcsd 0007829
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .38
FeM     .5    .5    .5  .54
O    .2553 .2553 .2553  .58
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: Fe2O4, background subtracted
Locality: synthetic
_database_code_amcsd 0007834
8.3970 8.3970 8.3970 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .40
FeM     .5    .5    .5  .55
O    .2549 .2549 .2549  .60
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Magnetite
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O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: Fe3O4, preferred values of spinel structure parameters
Locality: synthetic
_database_code_amcsd 0007847
8.3970 8.3970 8.3970 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
FeT   .125  .125  .125  .46
FeM     .5    .5    .5  .59
O    .2550 .2550 .2550  .64
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Magnetite
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Yamanaka T, Shimazu H, Ota K
 
Physics and Chemistry of Minerals 28 (2001) 110-118
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
Sample: Fe(3-x)SixO4, x = 0.000, synthesized at 1200 C, 6 GPa
Locality: synthetic
_database_code_amcsd 0008502
8.394 8.394 8.394 90 90 90 Fd3m
atom     x     y     z
FeO   .625  .625  .625
FeT      0     0     0
O    .3798 .3798 .3798
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Magnetite
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Yamanaka T, Shimazu H, Ota K
 
Physics and Chemistry of Minerals 28 (2001) 110-118
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
Sample: Fe(3-x)SixO4, x = 0.090, synthesized at 1200 C, 6 GPa
Locality: synthetic
_database_code_amcsd 0008503
8.392 8.392 8.392 90 90 90 Fd3m
atom     x     y     z  occ
FeO   .625  .625  .625 .998
SiO   .625  .625  .625 .002
FeT      0     0     0 .914
SiT      0     0     0 .086
O    .3792 .3792 .3792
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Magnetite
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Yamanaka T, Shimazu H, Ota K
 
Physics and Chemistry of Minerals 28 (2001) 110-118
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
Sample: Fe(3-x)SixO4, x = 0.288, synthesized at 1200 C, 10 GPa
Locality: synthetic
_database_code_amcsd 0008504
8.374 8.374 8.374 90 90 90 Fd3m
atom     x     y     z  occ
FeO   .625  .625  .625 .975
SiO   .625  .625  .625 .029
FeT      0     0     0 .769
SiT      0     0     0 .231
O    .3769 .3769 .3769
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Magnetite
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Gatta G D, Kantor I, Ballaran T B, Dubrovinsky L, McCammon C
 
Physics and Chemistry of Minerals 34 (2007) 627-635
Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
an in situ single-crystal X-ray diffraction study
Locality: synthetic
Sample: P = 0.0001 GPa, T = 293 K
_database_code_amcsd 0009109
8.3950 8.3950 8.3950 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z  Uiso
FeT   .125  .125  .125 .0063
FeM     .5    .5    .5 .0081
O    .2546 .2546 .2546 .0072
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Magnetite
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Gatta G D, Kantor I, Ballaran T B, Dubrovinsky L, McCammon C
 
Physics and Chemistry of Minerals 34 (2007) 627-635
Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
an in situ single-crystal X-ray diffraction study
Locality: synthetic
Sample: P = 4.99 GPa, T = 293 K
_database_code_amcsd 0009110
8.3198 8.3198 8.3198 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z  Uiso
FeT   .125  .125  .125 .0087
FeM     .5    .5    .5 .0078
O    .2541 .2541 .2541 .0054
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Magnetite
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Gatta G D, Kantor I, Ballaran T B, Dubrovinsky L, McCammon C
 
Physics and Chemistry of Minerals 34 (2007) 627-635
Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
an in situ single-crystal X-ray diffraction study
Locality: synthetic
Sample: P = 9.21 GPa, T = 293 K
_database_code_amcsd 0009111
8.2634 8.2634 8.2634 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z  Uiso
FeT   .125  .125  .125 .0085
FeM     .5    .5    .5 .0079
O    .2540 .2540 .2540 .0048
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Magnetite
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Fleet M E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=917
Acta Crystallographica B37 (1981) 917-920
The structure of magnetite
Locality: magnetite-chlorite schist
_database_code_amcsd 0009740
8.3941 8.3941 8.3941 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
FeT   .125  .125  .125 .00124 .00124 .00124       0       0       0
FeM     .5    .5    .5 .00164 .00164 .00164  .00016  .00016  .00016
O    .2549 .2549 .2549 .00192 .00192 .00192 -.00001 -.00001 -.00001
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Magnetite
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Fleet M E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=1491
Acta Crystallographica C40 (1984) 1491-1493
The structure of magnetite: two annealed natural magnetites,
Fe3.005O4 and Fe2.96Mg0.04O4
Note: Sample No.633, Fe3.005, annealed at 1373 K for 7 days
_database_code_amcsd 0009994
8.3969 8.3969 8.3969 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
FeT    .125   .125   .125 .00138 .00138 .00138       0       0       0
FeM      .5     .5     .5 .00179 .00179 .00179  .00021  .00021  .00021
O    .25468 .25468 .25468 .00212 .00212 .00212 -.00014 -.00014 -.00014
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Magnetite
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Fleet M E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=1491
Acta Crystallographica C40 (1984) 1491-1493
The structure of magnetite: two annealed natural magnetites,
Fe3.005O4 and Fe2.96Mg0.04O4
Note: Sample No.2741, Fe2.96, annealed at 1073 K for 7 days
_database_code_amcsd 0009995
8.3975 8.3975 8.3975 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
FeT    .125   .125   .125 .987 .00130 .00130 .00130       0       0       0
MgT    .125   .125   .125 .013 .00130 .00130 .00130       0       0       0
FeM      .5     .5     .5 .987 .00178 .00178 .00178  .00016  .00016  .00016
MgM      .5     .5     .5 .013 .00178 .00178 .00178  .00016  .00016  .00016
O    .25491 .25491 .25491      .00207 .00207 .00207 -.00012 -.00012 -.00012
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Magnetite
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Montoro V
 
Gazzetta Chimica Italiana 68 (1938) 728-733
Miscibilita fra gli ossidi salini di ferro e di manganese
_cod_database_code 1010369
_database_code_amcsd 0017295
8.384 8.384 8.384 90 90 90 Fd3m
atom    x    y    z
Fe1  .625 .625 .625
Fe2     0    0    0
O    .375 .375 .375
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Magnetite
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Fleet M E
 
Journal of Solid State Chemistry 62 (1986) 75-82
The structure of magnetite: Symmetry of cubic spinels
Note: Sample 633A
Locality: Natural, not provided
_database_code_amcsd 0020586
8.3941 8.3941 8.3941 90 90 90 Fd3m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1      0     0     0 .349 .00124 .00124 .00124       0       0       0
Fe2   .625  .625  .625 .461 .00164 .00164 .00164  .00016  .00016  .00016
O1   .3799 .3799 .3799 .541 .00192 .00192 .00192 -.00001 -.00001 -.00001
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Magnetite
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Fleet M E
 
Journal of Solid State Chemistry 62 (1986) 75-82
The structure of magnetite: Symmetry of cubic spinels
Note: Sample 633C
Locality: Natural, not provided
_database_code_amcsd 0020587
8.3941 8.3941 8.3941 90 90 90 Fd3m
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1       0      0      0 .348 .00124 .00124 .00124       0       0       0
Fe2    .625   .625   .625 .465 .00165 .00165 .00165  .00017  .00017  .00017
O1   .37986 .37986 .37986 .541 .00192 .00192 .00192 -.00016 -.00016 -.00016
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Magnetite
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Fleet M E
 
Journal of Solid State Chemistry 62 (1986) 75-82
The structure of magnetite: Symmetry of cubic spinels
Note: Sample 633D
Locality: Natural, not provided
_database_code_amcsd 0020588
8.3985 8.3985 8.3985 90 90 90 Fd3m
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1       0      0      0 .339 .00120 .00120 .00120       0       0       0
Fe2    .625   .625   .625 .469 .00166 .00166 .00166  .00018  .00018  .00018
O1   .37987 .37987 .37987 .550 .00195 .00195 .00195 -.00011 -.00011 -.00011
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Magnetite
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Fleet M E
 
Journal of Solid State Chemistry 62 (1986) 75-82
The structure of magnetite: Symmetry of cubic spinels
Note: Sample 633,MT1B, annealed at 1373 K
Locality: Natural, not provided
_database_code_amcsd 0020589
8.3969 8.3969 8.3969 90 90 90 Fd3m
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1       0      0      0   .4 .00137 .00137 .00137      0      0      0
Fe2    .625   .625   .625 .503 .00178 .00178 .00178  .0002  .0002  .0002
O1   .37972 .37972 .37972   .6 .00210 .00210 .00210 -.0001 -.0001 -.0001
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Magnetite
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Fleet M E
 
Journal of Solid State Chemistry 62 (1986) 75-82
The structure of magnetite: Symmetry of cubic spinels
Note: Sample 633A
Locality: Natural, not provided
_database_code_amcsd 0020590
8.3941 8.3941 8.3941 90 90 90 F-43m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1      0     0     0 .351 .00125 .00125 .00125       0       0       0
Fe2     .5    .5    .5 .342 .00121 .00121 .00121       0       0       0
Fe3  .6253 .6253 .6253 .473 .00168 .00168 .00168  .00018  .00018  .00018
O1   .8722 .8722 .8722 .355 .00126 .00126 .00126  .00044  .00044  .00044
O2   .3817 .3817 .3817 .795 .00282 .00282 .00282 -.00097 -.00097 -.00097
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Magnetite
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Fjellvag H, Gronvold F, Stolen S, Hauback B C
 
Journal of Solid State Chemistry 124 (1996) 52-57
On the crystallographic and magnetic structures of
nearly stoichiometric iron monoxide
Locality: synthetic
Sample: T = 298 K
_database_code_amcsd 0013895
8.4045 8.4045 8.4045 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z
Fe1   .875  .875  .875
Fe2     .5    .5    .5
O    .2542 .2542 .2542
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Magnetite
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Fjellvag H, Gronvold F, Stolen S, Hauback B C
 
Journal of Solid State Chemistry 124 (1996) 52-57
On the crystallographic and magnetic structures of
nearly stoichiometric iron monoxide
Locality: synthetic
Sample: T = 12 K
_database_code_amcsd 0013896
8.3873 8.3873 8.3873 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z
Fe1   .875  .875  .875
Fe2     .5    .5    .5
O    .2547 .2547 .2547
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Magnetite
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Bragg W
 
Nature (London) 95 (1915) 561-561
The Structure of Magnetite and the Spinels
_cod_database_code 1011032
_database_code_amcsd 0017938
8.32 8.32 8.32 90 90 90 Fd3m
atom    x    y    z
Fe1     0    0    0
Fe2  .625 .625 .625
O1   .375 .375 .375
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Magnetite
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Claassen A
 
Proceedings of the Physical Society of London 38 (1926) 482-487
The scattering power of oxygen and iron for X-Rays
_cod_database_code 1011084
_database_code_amcsd 0017981
8.4 8.4 8.4 90 90 90 Fd3m
atom    x    y    z
Fe1     0    0    0
Fe2  .625 .625 .625
O1   .379 .379 .379
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