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Spinel |
 |
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
 |
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
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diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 273 K and P = 0 GPa, inversion parameter x = .320 |
|
_database_code_amcsd 0003569 |
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8.0834 8.0834 8.0834 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .680 .0050 |
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AlT .125 .125 .125 .320 .0050 |
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AlOct .5 .5 .5 .840 .0092 |
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MgOct .5 .5 .5 .160 .0092 |
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O .26211 .26211 .26211 .0045 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 549 K and P = 0.4 GPa, inversion parameter x = .262 |
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_database_code_amcsd 0003570 |
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8.0727 8.0727 8.0727 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .738 .0109 |
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AlT .125 .125 .125 .262 .0109 |
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AlOct .5 .5 .5 .869 .0183 |
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MgOct .5 .5 .5 .131 .0183 |
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O .26206 .26206 .26206 .0046 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 757 K and P = 0.4 GPa, inversion parameter x = .292 |
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_database_code_amcsd 0003571 |
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8.0874 8.0874 8.0874 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .708 .0154 |
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AlT .125 .125 .125 .292 .0154 |
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AlOct .5 .5 .5 .854 .0261 |
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MgOct .5 .5 .5 .146 .0261 |
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O .26175 .26175 .26175 .0038 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 1015 K and P = 1.5 GPa, inversion parameter x = .386 |
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_database_code_amcsd 0003572 |
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8.1104 8.1104 8.1104 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .614 .0185 |
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AlT .125 .125 .125 .386 .0185 |
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AlOct .5 .5 .5 .807 .0330 |
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MgOct .5 .5 .5 .193 .0330 |
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O .26204 .26204 .26204 .0070 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 1202 K and P = 2.0 GPa, inversion parameter x = .453 |
|
_database_code_amcsd 0003573 |
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8.1274 8.1274 8.1274 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .547 .0148 |
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AlT .125 .125 .125 .453 .0148 |
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AlOct .5 .5 .5 .7735 .0399 |
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MgOct .5 .5 .5 .2265 .0399 |
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O .26179 .26179 .26179 .0111 |
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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
|
| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 1363 K and P = 2.8 GPa, inversion parameter x = .571 |
|
_database_code_amcsd 0003574 |
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8.1350 8.1350 8.1350 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .429 .0244 |
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AlT .125 .125 .125 .571 .0244 |
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AlOct .5 .5 .5 .7145 .0316 |
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MgOct .5 .5 .5 .2855 .0316 |
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O .26211 .26211 .26211 .0124 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 1507 K and P = 3.2 GPa, inversion parameter x = .633 |
|
_database_code_amcsd 0003575 |
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8.1452 8.1452 8.1452 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ Uiso |
|
MgT .125 .125 .125 .367 .0231 |
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AlT .125 .125 .125 .633 .0231 |
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AlOct .5 .5 .5 .6835 .0440 |
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MgOct .5 .5 .5 .3165 .0440 |
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O .26199 .26199 .26199 .0156 |
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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
|
| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 1058 K and P = 1.9 GPa, inversion parameter x = .524 |
|
_database_code_amcsd 0003576 |
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8.1171 8.1171 8.1171 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .476 .0103 |
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AlT .125 .125 .125 .524 .0103 |
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AlOct .5 .5 .5 .738 .0311 |
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MgOct .5 .5 .5 .262 .0311 |
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O .26159 .26159 .26159 .0101 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 887 K and P = 1.7 GPa, inversion parameter x = .509 |
|
_database_code_amcsd 0003577 |
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8.1050 8.1050 8.1050 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ Uiso |
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MgT .125 .125 .125 .491 .0128 |
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AlT .125 .125 .125 .509 .0128 |
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AlOct .5 .5 .5 .7455 .0213 |
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MgOct .5 .5 .5 .2545 .0213 |
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O .26181 .26181 .26181 .0086 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G |
|
American Mineralogist 89 (2004) 981-986 |
|
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron |
|
diffraction up to 1600 K and 3.2 GPa |
|
Sample at T = 381 K and P = 0.5 GPa, inversion parameter x = .365 |
|
_database_code_amcsd 0003578 |
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8.0800 8.0800 8.0800 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ Uiso |
|
MgT .125 .125 .125 .635 .0043 |
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AlT .125 .125 .125 .365 .0043 |
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AlOct .5 .5 .5 .8175 .0116 |
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MgOct .5 .5 .5 .1825 .0116 |
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O .26136 .26136 .26136 .0059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cristobalite |
|
Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G |
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Mineralogical Magazine 64 (2000) 569-576 |
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Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 |
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Locality: synthetic |
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Note: P = 3.5 GPa, refinement by unconstrained Rietveld analysis |
|
_database_code_amcsd 0014541 |
|
8.3780 4.6018 9.0568 90 124.949 90 P2_1/c |
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atom x y z Uiso |
|
Si1 .3726 .7339 .2187 -.0018 |
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Si2 .1340 .9779 .8529 -.0018 |
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O1 .1848 .8745 .0365 .0028 |
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O2 .3056 .5954 .3331 .0028 |
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O3 .5363 .9738 .3315 .0028 |
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O4 .9304 .8052 .6908 .0028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cristobalite |
|
Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G |
|
Mineralogical Magazine 64 (2000) 569-576 |
|
Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 |
|
Locality: synthetic |
|
Note: P = 3.5 GPa, refinement by constrained Rietveld analysis |
|
_database_code_amcsd 0014542 |
|
8.3769 4.6020 9.0583 90 124.939 90 P2_1/c |
|
atom x y z Uiso |
|
Si1 .3725 .7310 .2145 -.0003 |
|
Si2 .1207 .9699 .8403 -.0003 |
|
O1 .1859 .8645 .0351 .0044 |
|
O2 .2997 .5912 .3276 .0044 |
|
O3 .5296 .9791 .3297 .0044 |
|
O4 .927 .8089 .6839 .0044 |
|
|
| 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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