|
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 = 0 |
|
_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
|
| |
|
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 = 1.4 GPa |
|
_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
|
| |
|
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 = 2.3 GPa |
|
_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
|
| |
|
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 = 3.4 GPa |
|
_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
|
| |
|
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 = 6.6 GPa |
|
_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
|
| |
|
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 = 8.3 GPa |
|
_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
|
| |
|
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 = 11.3 GPa |
|
_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
|
| |
|
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 = 12.5 GPa |
|
_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
|
| |
|
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 = 13.5 GPa |
|
_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
|
| |
|
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 = 15.7 GPa |
|
_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
|
| |
|
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 = 17.5 GPa |
|
_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
|
| |
|
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 = 19.4 GPa |
|
_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
|
| |
|
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 = 21.8 GPa |
|
_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
|
| |
|
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 |
|
_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
|
| |
|
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 |
|
_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
|
| |
|
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 |
|
_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
|
| |
|
Magnetite-h |
| |
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 40 GPa, CaTi2O4 structure type |
|
_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
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 23.1 GPa |
|
_database_code_amcsd 0002899 |
|
4.4818 4.4818 13.9150 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .2848 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 29.9 GPa |
|
_database_code_amcsd 0002900 |
|
4.4560 4.4560 13.7092 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .2926 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 41.3 GPa |
|
_database_code_amcsd 0002901 |
|
4.4044 4.4044 13.3797 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .3014 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 45.6 GPa |
|
_database_code_amcsd 0002902 |
|
4.3895 4.3895 13.2938 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .3032 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 51.8 GPa |
|
_database_code_amcsd 0002903 |
|
4.3675 4.3675 13.1387 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .3073 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 56.6 GPa |
|
_database_code_amcsd 0002904 |
|
4.3530 4.3530 13.0325 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .3066 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 60.2 GPa |
|
_database_code_amcsd 0002905 |
|
4.3401 4.3401 12.9538 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .2967 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 70.7 GPa |
|
_database_code_amcsd 0002906 |
|
4.3138 4.3138 12.7762 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .2919 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 71.2 GPa |
|
_database_code_amcsd 0002907 |
|
4.3102 4.3102 12.7451 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .3020 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 75.7 GPa |
|
_database_code_amcsd 0002908 |
|
4.2981 4.2981 12.6690 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .2970 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Fiquet G, Guyot F, Kunz M, Matas J, Andrault D, Hanfland M |
|
American Mineralogist 87 (2002) 1261-1265 |
|
Structural refinements of magnesite at very high pressure |
|
Sample: P = 82.6 GPa |
|
_database_code_amcsd 0002909 |
|
4.2783 4.2783 12.5461 90 90 120 R-3c |
|
atom x y z |
|
Mg 0 0 0 |
|
C 0 0 .25 |
|
O .2960 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 0.0 GPa |
|
_database_code_amcsd 0002933 |
|
8.08149 8.08149 8.08149 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26262 .26262 .26262 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 0.6 GPa |
|
_database_code_amcsd 0002934 |
|
8.07262 8.07262 8.07262 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26265 .26265 .26265 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 1.1 GPa |
|
_database_code_amcsd 0002935 |
|
8.06652 8.06652 8.06652 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26261 .26261 .26261 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 1.7 GPa |
|
_database_code_amcsd 0002936 |
|
8.05714 8.05714 8.05714 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26195 .26195 .26195 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 3.1 GPa |
|
_database_code_amcsd 0002937 |
|
8.04100 8.04100 8.04100 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26260 .26260 .26260 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 4.5 GPa |
|
_database_code_amcsd 0002938 |
|
8.02441 8.02441 8.02441 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26251 .26251 .26251 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 5.0 GPa |
|
_database_code_amcsd 0002939 |
|
8.01530 8.01530 8.01530 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26192 .26192 .26192 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 5.9 GPa |
|
_database_code_amcsd 0002940 |
|
8.00560 8.00560 8.00560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26227 .26227 .26227 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 7.2 GPa |
|
_database_code_amcsd 0002941 |
|
7.98909 7.98909 7.98909 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26226 .26226 .26226 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 8.1 GPa |
|
_database_code_amcsd 0002942 |
|
7.98193 7.98193 7.98193 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26215 .26215 .26215 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 9.1 GPa |
|
_database_code_amcsd 0002943 |
|
7.97068 7.97068 7.97068 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26251 .26251 .26251 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 10.1 GPa |
|
_database_code_amcsd 0002944 |
|
7.96121 7.96121 7.96121 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26303 .26303 .26303 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 11.1 GPa |
|
_database_code_amcsd 0002945 |
|
7.94976 7.94976 7.94976 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26239 .26239 .26239 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 12.4 GPa |
|
_database_code_amcsd 0002946 |
|
7.93731 7.93731 7.93731 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26240 .26240 .26240 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 13.9 GPa |
|
_database_code_amcsd 0002947 |
|
7.92235 7.92235 7.92235 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26249 .26249 .26249 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 15.6 GPa |
|
_database_code_amcsd 0002948 |
|
7.90729 7.90729 7.90729 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26295 .26295 .26295 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 17.0 GPa |
|
_database_code_amcsd 0002949 |
|
7.89371 7.89371 7.89371 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26298 .26298 .26298 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 18.5 GPa |
|
_database_code_amcsd 0002950 |
|
7.88263 7.88263 7.88263 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26222 .26222 .26222 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 20.2 GPa |
|
_database_code_amcsd 0002951 |
|
7.86493 7.86493 7.86493 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26208 .26208 .26208 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 22.6 GPa |
|
_database_code_amcsd 0002952 |
|
7.84685 7.84685 7.84685 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26299 .26299 .26299 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 25.1 GPa |
|
_database_code_amcsd 0002953 |
|
7.82825 7.82825 7.82825 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26221 .26221 .26221 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Levy D, Pavese A, Hanfland M |
|
American Mineralogist 88 (2003) 93-98 |
|
Synthetic MgAl2O4 (spinel) at high pressure conditions (0.0001-30 GPa): |
|
A synchrotron X-ray powder diffraction study |
|
P = 29.0 GPa |
|
_database_code_amcsd 0002954 |
|
7.79994 7.79994 7.79994 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
AlM .5 .5 .5 .895 |
|
MgM .5 .5 .5 .105 |
|
MgT .125 .125 .125 .79 |
|
AlT .125 .125 .125 .21 |
|
O .26220 .26220 .26220 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Minium |
|
Dinnebier R E, Carlson S, Hanfland M, Jansen M |
|
American Mineralogist 88 (2003) 996-1002 |
|
Bulk modulus and high-pressure crystal structures of minium, Pb3O4, |
|
determined by X-ray powder diffraction |
|
Sample: Phase III of Pb3O4 at 13.3 GPa |
|
_database_code_amcsd 0003132 |
|
9.3812 6.4610 3.3168 90 90 90 Pbam |
|
atom x y z Uiso |
|
Pb1 .67564 .94970 .5 .014 |
|
Pb2 .5 .5 0 .017 |
|
O1 .3132 .3014 0 .042 |
|
O2 .5841 .3108 .5 .042 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
Merlini M, Gemmi M, Hanfland M, Crichton W |
| |
American Mineralogist 94 (2009) 704-709 |
|
High-pressure behavior of akermanite and gehlenite and phase stability |
|
of the normal structures in melelites |
|
Note: P = 5 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004933 |
|
7.740 7.740 4.932 90 90 90 P-42_1m |
|
atom x y z |
|
Mg 0 0 0 |
|
Ca .3343 .1657 .5065 |
|
Si .1416 .3584 .937 |
|
O1 0 .5 -.195 |
|
O2 .1438 .3562 .260 |
|
O3 .0803 .1843 .782 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akermanite |
|
Merlini M, Gemmi M, Hanfland M, Crichton W |
| |
American Mineralogist 94 (2009) 704-709 |
|
High-pressure behavior of akermanite and gehlenite and phase stability |
|
of the normal structures in melelites |
|
Note: P = 15 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004934 |
|
7.570 7.570 4.781 90 90 90 P-42_1m |
|
atom x y z |
|
Mg 0 0 0 |
|
Ca .3371 .1629 .5042 |
|
Si .1430 .3570 .9392 |
|
O1 0 .5 -.198 |
|
O2 .1421 .3579 .268 |
|
O3 .0807 .1841 .774 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Akermanite |
|
Merlini M, Gemmi M, Hanfland M, Crichton W |
| |
American Mineralogist 94 (2009) 704-709 |
|
High-pressure behavior of akermanite and gehlenite and phase stability |
|
of the normal structures in melelites |
|
Note: P = 15.7 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004935 |
|
8.82 7.34 9.13 90 115.1 90 P2_1/n |
|
atom x y z |
|
Mg .8107 .0997 .0926 |
|
Si1 .8648 .4512 .2150 |
|
Si2 .9575 .7554 .0731 |
|
Ca1 .4593 .2794 .0294 |
|
Ca2 .3028 .5638 .2121 |
|
O1 .9975 .5618 .1593 |
|
O2 .8801 .5221 .3791 |
|
O3 .698 .4728 .041 |
|
O4 .0049 .8800 .2257 |
|
O5 .1263 .8208 .0662 |
|
O6 .9530 .2625 .2856 |
|
O7 .783 .7583 -.097 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 0.0 GPa |
|
_database_code_amcsd 0008475 |
|
8.4412 8.4412 8.4412 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2605 .2605 .2605 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 1.8 GPa |
|
_database_code_amcsd 0008476 |
|
8.4129 8.4129 8.4129 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2593 .2593 .2593 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 4.6 GPa |
|
_database_code_amcsd 0008477 |
|
8.3731 8.3731 8.3731 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2574 .2574 .2574 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 5.5 GPa |
|
_database_code_amcsd 0008478 |
|
8.3603 8.3603 8.3603 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2567 .2567 .2567 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 6.8 GPa |
|
_database_code_amcsd 0008479 |
|
8.3470 8.3470 8.3470 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2535 .2535 .2535 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 9.0 GPa |
|
_database_code_amcsd 0008480 |
|
8.3177 8.3177 8.3177 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2523 .2523 .2523 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 10.2 GPa |
|
_database_code_amcsd 0008481 |
|
8.3069 8.3069 8.3069 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2529 .2529 .2529 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 11.5 GPa |
|
_database_code_amcsd 0008482 |
|
8.2884 8.2884 8.2884 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .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
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 12.9 GPa |
|
_database_code_amcsd 0008483 |
|
8.2719 8.2719 8.2719 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2534 .2534 .2534 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 14.2 GPa |
|
_database_code_amcsd 0008484 |
|
8.2634 8.2634 8.2634 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2490 .2490 .2490 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 16.0 GPa |
|
_database_code_amcsd 0008485 |
|
8.2440 8.2440 8.2440 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2522 .2522 .2522 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 17.8 GPa |
|
_database_code_amcsd 0008486 |
|
8.2289 8.2289 8.2289 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2531 .2531 .2531 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 19.7 GPa |
|
_database_code_amcsd 0008487 |
|
8.2151 8.2151 8.2151 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2573 .2573 .2573 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 22.1 GPa |
|
_database_code_amcsd 0008488 |
|
8.1939 8.1939 8.1939 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2574 .2574 .2574 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Levy D, Pavese A, Hanfland M |
| |
Physics and Chemistry of Minerals 27 (2000) 638-644 |
|
Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) |
|
at high pressure, from synchrotron X-ray powder diffraction |
|
Sample: P = 24.4 GPa |
|
_database_code_amcsd 0008489 |
|
8.1758 8.1758 8.1758 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
ZnT .125 .125 .125 |
|
FeM .5 .5 .5 |
|
O .2631 .2631 .2631 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Antimony |
|
Akselrud L G, Hanfland M, Schwarz U |
| |
Zeitschrift fur Kristallographie 218 (2003) 414-414 |
|
Refinement of the crystal structure of Sb-I, at 2.22 GPa |
|
Locality: synthetic |
|
Sample: at T = 295 K, P = 2.22 GPa |
|
Note: structure pertains to low pressure phase, Sb-I |
|
_database_code_amcsd 0011099 |
|
4.2687 4.2687 10.9244 90 90 120 R-3m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sb 0 0 .2362 .038 .038 .046 .019 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O7 Si2 Sm2 |
| |
Norlund Christensen A, Frost Jensen A, Kruse Themsen B, Gronbaek Hazell R, Hanfland M, Dooryhee E |
| |
Acta Chemica Scandinavica 51 (1997) 1178-1185 |
|
Structure investigations of the high-temperature phases of La2 Si2 O7, |
|
Gd2 Si2 O7 and Sm2 Si2 O7 |
|
_cod_database_code 1008805 |
|
_database_code_amcsd 0016676 |
|
8.553 12.849 5.392 91.08 88.61 89.68 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sm1 .1854 .7678 .2418 .0095 .0057 .0061 .0005 .0020 .0001 |
|
Sm2 .4009 .5916 .7565 .0074 .0058 .0045 .0006 -.0002 .0007 |
|
Sm3 .2987 .2662 .7568 .0089 .0070 .0066 -.0005 -.0013 -.0017 |
|
Sm4 .1029 .0886 .2588 .0072 .0056 .0048 -.0007 .0000 .0006 |
|
Si1 -.0029 .3201 .2804 .0125 .0040 .0048 -.0018 -.0026 .0016 |
|
Si2 .2489 .9762 .7135 .0075 .0050 .0047 .0024 .0007 .0004 |
|
Si3 .2459 .4794 .2158 .0139 .0018 .0052 .0003 -.0017 -.0003 |
|
Si4 .5038 .8218 .7807 .0078 .0084 .0056 -.0009 .0011 .0032 |
|
O1 .3517 .4200 -.0025 .0076 .0169 .0080 -.0047 -.0058 -.0021 |
|
O2 .1444 .9203 .4933 .0133 .0093 .0070 .0003 .0001 -.0004 |
|
O3 .0812 .2585 .5078 .0059 .0131 .0000 .0009 -.0105 -.0034 |
|
O4 .8175 .3235 .3733 .0050 .0186 .0039 .0083 -.0051 .0123 |
|
O5 .0237 .2478 .0317 .0093 .0111 .0133 .0001 .0067 .0035 |
|
O6 .4135 .7627 .0046 .0130 .0053 .0225 -.0052 .0127 .0058 |
|
O7 .2428 .0961 .6399 .0160 .0006 .0237 -.0018 -.0114 -.0006 |
|
O8 .6778 .8345 .8794 .0110 .0098 .0109 -.0026 .0048 .0058 |
|
O9 .2428 .5958 .1282 .0026 .0093 .0140 .0016 .0024 -.0064 |
|
O10 .0691 .4369 .2350 .0117 .0240 .0268 .0034 -.0003 .0151 |
|
O11 .3435 .4621 .4625 .0214 .0184 .0036 .0016 .0014 .0017 |
|
O12 .4992 .7448 .5372 .0151 .0124 .0179 -.0025 .0020 -.0024 |
|
O13 .1524 .9495 .9693 .0159 .0205 .0062 -.0103 .0027 -.0032 |
|
O14 .4275 .9354 .7187 .0076 .0119 .0263 -.0049 .0025 .0120 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Germanium |
| |
Takemura K, Schwarz U, Syassen K, Christensen N E, Hanfland M, Novikov D L, |
|
Loa I |
| |
Physica Status Solidi B223 (2001) 385-390 |
|
High-pressure structures of Ge above 100 GPa |
|
Locality: Synthetic |
|
Sample: at P = 135 GPa |
|
Note: structure theoretically calculated based on experimental data |
|
_database_code_amcsd 0015111 |
|
7.886 4.656 4.667 90 90 90 Cmca |
|
atom x y z |
|
Ge1 .2210 0 0 |
|
Ge2 0 .1721 .3138 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cesium |
| |
Schwarz U, Takemura K, Hanfland M, Syassen K |
| |
Physical Review Letters 81 (1998) 2711-2714 |
|
Crystal structure of cesium-V |
|
Locality: synthetic |
|
Sample: at P = 12 GPa |
|
Note: phase V |
|
_database_code_amcsd 0015278 |
|
11.205 6.626 6.595 90 90 90 Cmca |
|
atom x y z |
|
Cs1 0 .1729 .327 |
|
Cs2 .2161 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
|
| |
|
Cesium |
| |
Schwarz U, Takemura K, Hanfland M, Syassen K |
| |
Physical Review Letters 81 (1998) 2711-2714 |
|
Crystal structure of cesium-V |
|
Locality: synthetic |
|
Sample: at P = 19.6 GPa |
|
Note: phase V |
|
_database_code_amcsd 0015279 |
|
10.879 6.443 6.389 90 90 90 Cmca |
|
atom x y z |
|
Cs1 0 .1781 .328 |
|
Cs2 .2118 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
|
| |
|
Cesium |
| |
Schwarz U, Takemura K, Hanfland M, Syassen K |
| |
Physical Review Letters 81 (1998) 2711-2714 |
|
Crystal structure of cesium-V |
|
Locality: synthetic |
|
Sample: at P = 25.8 GPa |
|
Note: phase V |
|
_database_code_amcsd 0015280 |
|
10.641 6.278 6.249 90 90 90 Cmca |
|
atom x y z |
|
Cs1 0 .188 .328 |
|
Cs2 .2173 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Silicon |
| |
Hanfland M, Schwarz U, Syassen K, Takemura K |
| |
Physical Review Letters 82 (1999) 1197-1200 |
|
Crystal structure of the high-pressure phase silicon VI |
|
Locality: synthetic |
|
Sample: at P = 38.4 GPa |
|
Note: phase VI |
|
_database_code_amcsd 0015281 |
|
8.0242 4.7961 4.7760 90 90 90 Cmca |
|
atom x y z |
|
Si1 0 .173 .328 |
|
Si2 .218 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
|
| |
|
Silicon |
| |
Hanfland M, Schwarz U, Syassen K, Takemura K |
| |
Physical Review Letters 82 (1999) 1197-1200 |
|
Crystal structure of the high-pressure phase silicon VI |
|
Locality: synthetic |
|
Sample: at P = 42.5 GPa |
|
Note: phase VI |
|
_database_code_amcsd 0015282 |
|
7.9686 4.7759 4.7546 90 90 90 Cmca |
|
atom x y z |
|
Si1 0 .172 .328 |
|
Si2 .219 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
|
| |
|
Silicon |
| |
Hanfland M, Schwarz U, Syassen K, Takemura K |
| |
Physical Review Letters 82 (1999) 1197-1200 |
|
Crystal structure of the high-pressure phase silicon VI |
|
Locality: synthetic |
|
Sample: at P = 45.5 GPa |
|
Note: phase VI |
|
_database_code_amcsd 0015283 |
|
7.9200 4.7586 4.7361 90 90 90 Cmca |
|
atom x y z |
|
Si1 0 .173 .324 |
|
Si2 .224 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
|
| |
|
SiO2 |
| |
Haines J, Leger J M, Gorelli F, Hanfland M |
| |
Physical Review Letters 87 (2001) 155503-155503 |
|
Crystalline post-quartz phase in silica at high pressure |
|
Sample at ambient conditions |
|
_database_code_amcsd 0015284 |
|
7.66 4.10 5.03 90 117.9 90 P2_1/c |
|
atom x y z |
|
Si1 .5 0 0 |
|
Si2 .1660 .5009 .9688 |
|
O1 .0535 .2429 .6511 |
|
O2 .7208 .2418 .1864 |
|
O3 .3873 .2373 .6597 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boron |
| |
Zarechnaya E Y, Dubrovinsky L, Dubrovinskaia N, Filinchuk Y, Chernyshov D, Dmitriev V, |
|
Miyajima N, El Goresy A, Braun H F, Van Smaalen S, Kantor I, Kantor A, Prakapenka V, |
|
Hanfland M, Mikhaylushkin A S, Abrikosov I A, Simak S I |
| |
Physical Review Letters 102 (2009) 185501-1185501-4 |
|
Superhard semiconducting optically transparent high pressure phase of boron |
|
Note: crystal quenched from 20 GPa, 1700 K |
|
Locality: synthetic |
|
_database_code_amcsd 0015285 |
|
5.0576 5.6245 6.9884 90 90 90 Pnnm |
|
atom x y z |
|
B1 .1539 .5938 .7924 |
|
B2 .6469 .7284 .5 |
|
B3 .3362 .5076 0 |
|
B4 .8391 .7189 .8737 |
|
B5 .6690 .9823 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schafarzikite |
|
Hinrichsen B, Dinnebier R E, Rajiv P, Hanfland M, Grzechnik A, Jansen M |
| |
Journal of Physics: Condensed Matter 18 (2006) S1021-S1037 |
|
Advances in data reduction of high-pressure X-ray powder diffraction data from |
|
two-dimensional detectors: a case study of schafarzikite (FeSb2O4) |
|
Note: P = 0.5 GPa |
|
_database_code_amcsd 0018888 |
|
8.5758 8.5758 5.8983 90 90 90 P4_2/mbc |
|
atom x y z Uiso |
|
Fe 0 .5 .25 .018 |
|
Sb .175 .164 0 .004 |
|
O1 .676 .176 .25 .096 |
|
O2 .099 .651 0 .001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schafarzikite |
|
Hinrichsen B, Dinnebier R E, Rajiv P, Hanfland M, Grzechnik A, Jansen M |
| |
Journal of Physics: Condensed Matter 18 (2006) S1021-S1037 |
|
Advances in data reduction of high-pressure X-ray powder diffraction data from |
|
two-dimensional detectors: a case study of schafarzikite (FeSb2O4) |
|
Note: P = 4.2 GPa, this is denoted as Phase II |
|
_database_code_amcsd 0018889 |
|
5.7792 8.3134 8.4545 90 91.879 90 P2_1/c |
|
atom x y z Uiso |
|
Fe .224 .0000 .496 .003 |
|
Sb1 -.010 .172 .158 .022 |
|
Sb2 .498 .842 .181 .050 |
|
O1 .223 .697 .163 .03 |
|
O2 .269 .333 .804 .06 |
|
O3 .017 .094 .680 .06 |
|
O4 .500 .352 .088 .06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schafarzikite |
|
Hinrichsen B, Dinnebier R E, Rajiv P, Hanfland M, Grzechnik A, Jansen M |
| |
Journal of Physics: Condensed Matter 18 (2006) S1021-S1037 |
|
Advances in data reduction of high-pressure X-ray powder diffraction data from |
|
two-dimensional detectors: a case study of schafarzikite (FeSb2O4) |
|
Note: P = 10.5 GPa, this is denoted as Phase III |
|
_database_code_amcsd 0018890 |
|
7.8498 7.8498 5.7452 90 90 90 P4_2/m |
|
atom x y z Uiso |
|
Fe 0 .5 .222 .007 |
|
Sb1 -.164 .154 0 .016 |
|
Sb2 .328 .653 0 .028 |
|
O1 .681 .132 .220 .001 |
|
O2 .113 .636 0 .001 |
|
O3 .483 .246 0 .001 |
|
|
| 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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