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Titanite |
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Kunz M, Xirouchakis D, Lindsley D H, Hausermann D |
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American Mineralogist 81 (1996) 1527-1530 |
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High-pressure phase transition in titanite (CaTiOSiO4) |
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Sample: at 6.95 GPa |
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Note: this is a not titanite but instead is a high-pressure polymorph of Ca, |
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transfomred by pressure acting on titanite |
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_database_code_amcsd 0001850 |
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6.8912 8.6234 6.4065 90 113.057 90 A2/a |
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atom x y z Uiso |
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Ca .25 .1666 0 .019 |
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Ti .5 0 .5 .016 |
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Si .75 .188 0 .014 |
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O1 .75 .061 .5 .011 |
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O2 .922 .0712 .179 .011 |
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O3 .392 .216 .391 .011 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Fe3O4 |
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Fei Y, Frost D J, Mao H K, Prewitt C T, Hausermann D |
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American Mineralogist 84 (1999) 203-206 |
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In situ structure determination of the high-pressure phase of Fe3O4 |
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Sample data recorded at P = 23.96 GPa, T = = 823 K |
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_database_code_amcsd 0002088 |
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2.7992 9.4097 9.4832 90 90 90 Pbcm |
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atom x y z |
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Fe2+ .724 .3757 .25 |
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Fe3+ .246 .1107 .0879 |
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O1 .506 .25 0 |
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O2 .180 .2447 .25 |
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O3 .296 .4899 .0980 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Magnetite |
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Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
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American Mineralogist 85 (2000) 514-523 |
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Equation of state of magnetite and its high-pressure modification: |
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Thermodynamics of the Fe-O system at high pressure |
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Sample at P = 0 |
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_database_code_amcsd 0002400 |
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8.3965 8.3965 8.3965 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2549 .2549 .2549 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Magnetite |
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Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
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American Mineralogist 85 (2000) 514-523 |
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Equation of state of magnetite and its high-pressure modification: |
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Thermodynamics of the Fe-O system at high pressure |
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Sample at P = 1.4 GPa |
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_database_code_amcsd 0002401 |
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8.3837 8.3837 8.3837 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2554 .2554 .2554 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Magnetite |
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Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
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American Mineralogist 85 (2000) 514-523 |
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Equation of state of magnetite and its high-pressure modification: |
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Thermodynamics of the Fe-O system at high pressure |
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Sample at P = 2.3 GPa |
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_database_code_amcsd 0002402 |
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8.3685 8.3685 8.3685 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2550 .2550 .2550 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Magnetite |
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Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
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American Mineralogist 85 (2000) 514-523 |
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Equation of state of magnetite and its high-pressure modification: |
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Thermodynamics of the Fe-O system at high pressure |
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Sample at P = 3.4 GPa |
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_database_code_amcsd 0002403 |
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8.3517 8.3517 8.3517 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2548 .2548 .2548 |
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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
|
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Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
American Mineralogist 85 (2000) 514-523 |
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Equation of state of magnetite and its high-pressure modification: |
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Thermodynamics of the Fe-O system at high pressure |
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Sample at P = 6.6 GPa |
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_database_code_amcsd 0002404 |
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8.3122 8.3122 8.3122 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2549 .2549 .2549 |
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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
|
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Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 8.3 GPa |
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_database_code_amcsd 0002405 |
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8.2966 8.2966 8.2966 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2549 .2549 .2549 |
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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
|
| |
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Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 11.3 GPa |
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_database_code_amcsd 0002406 |
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8.2626 8.2626 8.2626 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2549 .2549 .2549 |
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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
|
| |
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Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 12.5 GPa |
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_database_code_amcsd 0002407 |
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8.2547 8.2547 8.2547 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2547 .2547 .2547 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 13.5 GPa |
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_database_code_amcsd 0002408 |
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8.2396 8.2396 8.2396 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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O .2543 .2543 .2543 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 15.7 GPa |
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_database_code_amcsd 0002409 |
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8.2321 8.2321 8.2321 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 17.5 GPa |
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_database_code_amcsd 0002410 |
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8.2140 8.2140 8.2140 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 19.4 GPa |
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_database_code_amcsd 0002411 |
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8.1891 8.1891 8.1891 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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Sample at P = 21.8 GPa |
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_database_code_amcsd 0002412 |
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8.1710 8.1710 8.1710 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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_database_code_amcsd 0002413 |
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8.1509 8.1509 8.1509 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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_database_code_amcsd 0002414 |
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8.1177 8.1177 8.1177 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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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
|
| |
|
Magnetite |
|
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
|
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 |
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_database_code_amcsd 0002415 |
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8.0636 8.0636 8.0636 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe(tet) .125 .125 .125 |
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Fe(oct) .5 .5 .5 |
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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
|
| |
|
Magnetite-h |
| |
Haavik C, Stolen S, Fjellvag H, Hanfland M, Hausermann D |
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American Mineralogist 85 (2000) 514-523 |
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Equation of state of magnetite and its high-pressure modification: |
|
Thermodynamics of the Fe-O system at high pressure |
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Sample at 40 GPa, CaTi2O4 structure type |
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_database_code_amcsd 0002416 |
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9.273 9.239 2.746 90 90 90 Bbmm |
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atom x y z |
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Fe1 .375 .25 0 |
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Fe2(oct) .135 .087 0 |
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O1 .005 .25 0 |
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O2 .214 .605 0 |
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O3 .5 0 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
|
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|
Periclase |
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Dubrovinsky L S, Lazor P, Saxena S K, Haggkvist P, Weber H P, |
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Le Bihan T, Hausermann D |
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Physics and Chemistry of Minerals 26 (1999) 539-545 |
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Study of laser heated iron using third generation synchrotron |
|
X-ray radiation facility with imaging plate at high pressures |
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Sample: P = 61 GPa, T = 300 K |
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_database_code_amcsd 0008231 |
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3.899 3.899 3.899 90 90 90 Fm3m |
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atom x y z |
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Mg 0 0 0 |
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O .5 .5 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Periclase |
|
Dubrovinsky L S, Lazor P, Saxena S K, Haggkvist P, Weber H P, |
|
Le Bihan T, Hausermann D |
| |
Physics and Chemistry of Minerals 26 (1999) 539-545 |
|
Study of laser heated iron using third generation synchrotron |
|
X-ray radiation facility with imaging plate at high pressures |
|
Sample: P = 61 GPa, T = 1550 K |
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_database_code_amcsd 0008232 |
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3.897 3.897 3.897 90 90 90 Fm3m |
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atom x y z |
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Mg 0 0 0 |
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O .5 .5 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Iron |
|
Dubrovinsky L S, Lazor P, Saxena S K, Haggkvist P, Weber H P, |
|
Le Bihan T, Hausermann D |
| |
Physics and Chemistry of Minerals 26 (1999) 539-545 |
|
Study of laser heated iron using third generation synchrotron |
|
X-ray radiation facility with imaging plate at high pressures |
|
Sample: epsilon iron phase: P = 61 GPa, T = 300 K |
|
_database_code_amcsd 0008238 |
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2.347 2.347 3.797 90 90 120 P6_3/mmc |
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atom x y z |
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Fe 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Iron |
|
Dubrovinsky L S, Lazor P, Saxena S K, Haggkvist P, Weber H P, |
|
Le Bihan T, Hausermann D |
| |
Physics and Chemistry of Minerals 26 (1999) 539-545 |
|
Study of laser heated iron using third generation synchrotron |
|
X-ray radiation facility with imaging plate at high pressures |
|
Sample epsilon iron phase: P = 61 GPa, T = 1550 K |
|
_database_code_amcsd 0008239 |
|
2.346 2.346 3.808 90 90 120 P6_3/mmc |
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atom x y z |
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Fe 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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