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Covellite |
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Fjellvag H, Gronvold F, Stolen S, Andresen A F, Mueller-Kaefer R, Simon A |
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Zeitschrift fur Kristallographie 184 (1988) 111-121 |
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Low-temperature structural distortion in CuS |
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Locality: synthetic |
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Sample: T = 295 K |
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_database_code_amcsd 0010979 |
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3.7917 3.7917 16.342 90 90 120 P6_3/mmc |
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atom x y z |
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Cu1 1/3 2/3 .75 |
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Cu2 1/3 2/3 .1072 |
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S1 1/3 2/3 .25 |
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S2 0 0 .0611 |
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Covellite |
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Fjellvag H, Gronvold F, Stolen S, Andresen A F, Mueller-Kaefer R, Simon A |
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Zeitschrift fur Kristallographie 184 (1988) 111-121 |
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Low-temperature structural distortion in CuS |
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Locality: synthetic |
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Sample: T = 55 K |
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Note: Cell parameters estimated from Figure 1 |
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_database_code_amcsd 0010980 |
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3.782 3.782 16.29 90 90 120 P6_3/mmc |
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atom x y z |
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Cu1 1/3 2/3 .75 |
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Cu2 1/3 2/3 .1068 |
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S1 1/3 2/3 .25 |
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S2 0 0 .0624 |
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| Download AMC data (View Text File)
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Covellite |
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Fjellvag H, Gronvold F, Stolen S, Andresen A F, Mueller-Kaefer R, Simon A |
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Zeitschrift fur Kristallographie 184 (1988) 111-121 |
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Low-temperature structural distortion in CuS |
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Locality: synthetic |
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Sample: T = 8 K |
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Note: Cell parameters estimated from Figure 1 |
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_database_code_amcsd 0010981 |
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3.763 6.568 16.225 90 90 90 Cmcm |
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atom x y z Biso |
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Cu1 0 .3623 .75 .2 |
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Cu2 0 .3372 .1070 .2 |
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S1 0 .3068 .25 .35 |
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S2 0 .0008 .0627 .35 |
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View JMOL 3-D Structure
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Wustite |
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Fjellvag H, Gronvold F, Stolen S, Hauback B C |
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Journal of Solid State Chemistry 124 (1996) 52-57 |
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On the crystallographic and magnetic structures of |
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nearly stoichiometric iron monoxide |
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Locality: synthetic |
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Sample: Three-Phase Mixture FeO, T = 298 K |
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_database_code_amcsd 0013893 |
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4.326 4.326 4.326 90 90 90 Fm-3m |
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atom x y z |
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Fe 0 0 0 |
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O .5 .5 .5 |
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Wustite |
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Fjellvag H, Gronvold F, Stolen S, Hauback B C |
| |
Journal of Solid State Chemistry 124 (1996) 52-57 |
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On the crystallographic and magnetic structures of |
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nearly stoichiometric iron monoxide |
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Locality: synthetic |
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Sample: Single-Phase Fe0.925O, T = 298 K |
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_database_code_amcsd 0013894 |
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4.3064 4.3064 4.3064 90 90 90 Fm-3m |
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atom x y z occ |
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Fe1 0 0 0 .870 |
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Fe2 .25 .25 .25 .0275 |
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O .5 .5 .5 |
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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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Fjellvag H, Gronvold F, Stolen S, Hauback B C |
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Journal of Solid State Chemistry 124 (1996) 52-57 |
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On the crystallographic and magnetic structures of |
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nearly stoichiometric iron monoxide |
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Locality: synthetic |
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Sample: T = 298 K |
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_database_code_amcsd 0013895 |
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8.4045 8.4045 8.4045 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z |
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Fe1 .875 .875 .875 |
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Fe2 .5 .5 .5 |
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O .2542 .2542 .2542 |
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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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Fjellvag H, Gronvold F, Stolen S, Hauback B C |
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Journal of Solid State Chemistry 124 (1996) 52-57 |
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On the crystallographic and magnetic structures of |
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nearly stoichiometric iron monoxide |
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Locality: synthetic |
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Sample: T = 12 K |
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_database_code_amcsd 0013896 |
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8.3873 8.3873 8.3873 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z |
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Fe1 .875 .875 .875 |
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Fe2 .5 .5 .5 |
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O .2547 .2547 .2547 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Wustite |
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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 |
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nearly stoichiometric iron monoxide |
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Locality: synthetic |
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Note: low-temperature polymorph |
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Sample: Three-Phase Mixture FeO, T = 12 K |
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_database_code_amcsd 0013897 |
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6.132 6.132 6.132 59.34 59.34 59.34 R-3 |
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atom x y z |
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Fe1 0 0 0 |
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Fe2 .5 .5 .5 |
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Fe3 .5 0 0 |
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Fe4 0 .5 .5 |
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O1 .25 .25 .25 |
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O2 .25 .25 .75 |
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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
|
| |
|
Wustite |
|
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 |
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Locality: synthetic |
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Note: low-temperature polymorph |
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Sample: Single-Phase Fe0.925O, T = 12 K |
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_database_code_amcsd 0013898 |
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6.073 6.073 6.073 59.92 59.92 59.92 R-3 |
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atom x y z occ |
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Fe1 0 0 0 .870 |
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Fe2 .5 .5 .5 .870 |
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Fe3 .5 0 0 .870 |
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Fe4 0 .5 .5 .870 |
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Fe5 .125 .125 .125 .0275 |
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Fe6 .625 .625 .625 .0275 |
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Fe7 .125 .625 .625 .0275 |
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Fe8 .625 .125 .125 .0275 |
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O1 .25 .25 .25 |
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O2 .25 .25 .75 |
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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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