|
Magnesite |
 |
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h |
|
_database_code_amcsd 0004321 |
|
4.7821 4.7821 15.697 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .686 .019 |
|
MgA 0 0 0 .314 .019 |
|
MgB 0 0 .5 .686 .019 |
|
CdB 0 0 .5 .314 .019 |
|
C 0 0 .245 .024 |
|
O .252 -.026 .254 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h |
|
Sample: disordered at T = 600 C, t = 20 min |
|
_database_code_amcsd 0004322 |
|
4.7822 4.7822 15.691 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .645 .019 |
|
MgA 0 0 0 .355 .019 |
|
MgB 0 0 .5 .645 .019 |
|
CdB 0 0 .5 .355 .019 |
|
C 0 0 .240 .024 |
|
O .252 -.026 .249 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h |
|
Sample: disordered at T = 600 C, t = 48 h |
|
_database_code_amcsd 0004323 |
|
4.7819 4.7819 15.698 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .629 .019 |
|
MgA 0 0 0 .371 .019 |
|
MgB 0 0 .5 .629 .019 |
|
CdB 0 0 .5 .371 .019 |
|
C 0 0 .239 .024 |
|
O .252 -.026 .249 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = 0, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004324 |
|
4.9207 4.9207 16.2968 90 90 120 R-3c |
|
atom x y z Uiso |
|
Cd 0 0 0 .026 |
|
C 0 0 .25 .021 |
|
O .260 0 .25 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .1, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004325 |
|
4.8950 4.8950 16.1938 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .9 .026 |
|
Mg 0 0 0 .1 .026 |
|
C 0 0 .25 .021 |
|
O .260 0 .25 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .2, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004326 |
|
4.8670 4.8670 16.0787 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .8 .026 |
|
Mg 0 0 0 .2 .026 |
|
C 0 0 .25 .021 |
|
O .264 0 .25 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .3, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004327 |
|
4.8398 4.8398 15.9621 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .7 .026 |
|
Mg 0 0 0 .3 .026 |
|
C 0 0 .25 .021 |
|
O .264 0 .25 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .4, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004328 |
|
4.8113 4.8113 15.8356 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .718 .019 |
|
MgA 0 0 0 .282 .019 |
|
MgB 0 0 .5 .518 .019 |
|
CdB 0 0 .5 .482 .019 |
|
C 0 0 .246 .024 |
|
O .251 -.024 .256 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004329 |
|
4.7792 4.7792 15.6884 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .595 .019 |
|
MgA 0 0 0 .405 .019 |
|
MgB 0 0 .5 .595 .019 |
|
CdB 0 0 .5 .405 .019 |
|
C 0 0 .244 .024 |
|
O .252 -.025 .254 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .6, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004330 |
|
4.7590 4.7590 15.5956 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .488 .019 |
|
MgA 0 0 0 .512 .019 |
|
MgB 0 0 .5 .688 .019 |
|
CdB 0 0 .5 .312 .019 |
|
C 0 0 .243 .024 |
|
O .254 -.025 .255 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = 1, synthesized at 600 C, 1 GPa, 3 h |
|
_database_code_amcsd 0004331 |
|
4.6338 4.6338 15.0192 90 90 120 R-3c |
|
atom x y z Uiso |
|
Mg 0 0 0 .026 |
|
C 0 0 .25 .021 |
|
O .279 0 .25 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .4, synthesized at 600 C, 1 GPa, 19 h |
|
_database_code_amcsd 0004332 |
|
4.8116 4.8116 15.8303 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .744 .019 |
|
MgA 0 0 0 .256 .019 |
|
MgB 0 0 .5 .544 .019 |
|
CdB 0 0 .5 .456 .019 |
|
C 0 0 .249 .024 |
|
O .252 -.025 .256 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .45, synthesized at 600 C, 1 GPa, 19 h |
|
_database_code_amcsd 0004333 |
|
4.7963 4.7963 15.7663 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .703 .019 |
|
MgA 0 0 0 .297 .019 |
|
MgB 0 0 .5 .603 .019 |
|
CdB 0 0 .5 .397 .019 |
|
C 0 0 .246 .024 |
|
O .252 -.025 .255 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 19 h |
|
_database_code_amcsd 0004334 |
|
4.7813 4.7813 15.7023 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .634 .019 |
|
MgA 0 0 0 .366 .019 |
|
MgB 0 0 .5 .634 .019 |
|
CdB 0 0 .5 .366 .019 |
|
C 0 0 .244 .024 |
|
O .252 -.026 .252 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .55, synthesized at 600 C, 1 GPa, 19 h |
|
_database_code_amcsd 0004335 |
|
4.7752 4.7752 15.673 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .552 .019 |
|
MgA 0 0 0 .448 .019 |
|
MgB 0 0 .5 .652 .019 |
|
CdB 0 0 .5 .348 .019 |
|
C 0 0 .244 .024 |
|
O .252 -.026 .255 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 96 h |
|
_database_code_amcsd 0004336 |
|
4.7818 4.7818 15.7028 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .638 .019 |
|
MgA 0 0 0 .362 .019 |
|
MgB 0 0 .5 .638 .019 |
|
CdB 0 0 .5 .362 .019 |
|
C 0 0 .243 .024 |
|
O .252 -.026 .252 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 650 C, 1 GPa, 120 h |
|
_database_code_amcsd 0004337 |
|
4.7824 4.7824 15.7082 90 90 120 R-3 |
|
atom x y z occ Uiso |
|
CdA 0 0 0 .629 .019 |
|
MgA 0 0 0 .371 .019 |
|
MgB 0 0 .5 .629 .019 |
|
CdB 0 0 .5 .371 .019 |
|
C 0 0 .249 .024 |
|
O .254 -.023 .255 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 700 C, 1 GPa, 24 h |
|
_database_code_amcsd 0004338 |
|
4.7820 4.7820 15.7028 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Mg 0 0 0 .5 .029 |
|
Cd 0 0 0 .5 .029 |
|
C 0 0 .25 .036 |
|
O .265 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = 0, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004339 |
|
4.9204 4.9204 16.2948 90 90 120 R-3c |
|
atom x y z Uiso |
|
Cd 0 0 0 .029 |
|
C 0 0 .25 .036 |
|
O .260 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .1, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004340 |
|
4.8934 4.8934 16.1892 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .9 .029 |
|
Mg 0 0 0 .1 .029 |
|
C 0 0 .25 .036 |
|
O .260 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .2, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004341 |
|
4.8638 4.8638 16.0679 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .8 .029 |
|
Mg 0 0 0 .2 .029 |
|
C 0 0 .25 .036 |
|
O .264 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .3, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004342 |
|
4.8341 4.8341 15.9434 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .7 .029 |
|
Mg 0 0 0 .3 .029 |
|
C 0 0 .25 .036 |
|
O .264 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Otavite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .4, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004343 |
|
4.8095 4.8095 15.8358 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .6 .029 |
|
Mg 0 0 0 .4 .029 |
|
C 0 0 .25 .036 |
|
O .266 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .5, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004344 |
|
4.7788 4.7788 15.6968 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .5 .029 |
|
Mg 0 0 0 .5 .029 |
|
C 0 0 .25 .036 |
|
O .266 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .6, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004345 |
|
4.7510 4.7510 15.5745 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .4 .029 |
|
Mg 0 0 0 .6 .029 |
|
C 0 0 .25 .036 |
|
O .268 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = .9, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004346 |
|
4.6638 4.6638 15.1720 90 90 120 R-3c |
|
atom x y z occ Uiso |
|
Cd 0 0 0 .1 .029 |
|
Mg 0 0 0 .9 .029 |
|
C 0 0 .25 .036 |
|
O .276 0 .25 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Bromiley F A, Boffa Ballaran T, Langenhorst F, Seifert F |
| |
American Mineralogist 92 (2007) 829-836 |
|
Order and miscibility in the otavite - magnesite solid solution |
|
Locality: synthetic |
|
Sample: X_Mg = 1, synthesized at 800 C, 1 GPa, 1 h |
|
_database_code_amcsd 0004347 |
|
4.6334 4.6334 15.0178 90 90 120 R-3c |
|
atom x y z Uiso |
|
Mg 0 0 0 .028 |
|
C 0 0 .25 .022 |
|
O .279 0 .25 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in air, ordered |
|
_database_code_amcsd 0004464 |
|
8.0888 8.0888 8.0888 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0047 |
|
AlA .125 .125 .125 .15 .0047 |
|
AlB .5 .5 .5 .925 .0037 |
|
MgB .5 .5 .5 .075 .0037 |
|
O .26332 .26332 .26332 .0049 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in DAC, ordered |
|
_database_code_amcsd 0004465 |
|
8.0961 8.0961 8.0961 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0053 |
|
AlA .125 .125 .125 .15 .0053 |
|
AlB .5 .5 .5 .925 .0036 |
|
MgB .5 .5 .5 .075 .0036 |
|
O .2630 .2630 .2630 .0051 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.44 GPa, ordered |
|
_database_code_amcsd 0004466 |
|
8.0864 8.0864 8.0864 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0070 |
|
AlA .125 .125 .125 .15 .0070 |
|
AlB .5 .5 .5 .925 .0068 |
|
MgB .5 .5 .5 .075 .0068 |
|
O .2637 .2637 .2637 .0100 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 2.92 GPa, ordered |
|
_database_code_amcsd 0004467 |
|
8.0494 8.0494 8.0494 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0067 |
|
AlA .125 .125 .125 .15 .0067 |
|
AlB .5 .5 .5 .925 .0060 |
|
MgB .5 .5 .5 .075 .0060 |
|
O .2634 .2634 .2634 .0074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 7.34 GPa, ordered |
|
_database_code_amcsd 0004468 |
|
7.9996 7.9996 7.9996 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0081 |
|
AlA .125 .125 .125 .15 .0081 |
|
AlB .5 .5 .5 .925 .0068 |
|
MgB .5 .5 .5 .075 .0068 |
|
O .2629 .2629 .2629 .0087 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 8.03 GPa, ordered |
|
_database_code_amcsd 0004469 |
|
7.9921 7.9921 7.9921 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0097 |
|
AlA .125 .125 .125 .15 .0097 |
|
AlB .5 .5 .5 .925 .0094 |
|
MgB .5 .5 .5 .075 .0094 |
|
O .2633 .2633 .2633 .0100 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in air, disordered |
|
_database_code_amcsd 0004470 |
|
8.0849 8.0849 8.0849 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0038 |
|
AlA .125 .125 .125 .27 .0038 |
|
AlB .5 .5 .5 .865 .0041 |
|
MgB .5 .5 .5 .135 .0041 |
|
O .26166 .26166 .26166 .0078 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in DAC, disordered |
|
_database_code_amcsd 0004471 |
|
8.0899 8.0899 8.0899 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0050 |
|
AlA .125 .125 .125 .27 .0050 |
|
AlB .5 .5 .5 .865 .0051 |
|
MgB .5 .5 .5 .135 .0051 |
|
O .2614 .2614 .2614 .0094 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.440 GPa, disordered |
|
_database_code_amcsd 0004472 |
|
8.0801 8.0801 8.0801 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0062 |
|
AlA .125 .125 .125 .27 .0062 |
|
AlB .5 .5 .5 .865 .0060 |
|
MgB .5 .5 .5 .135 .0060 |
|
O .2615 .2615 .2615 .0110 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 2.924 GPa, disordered |
|
_database_code_amcsd 0004473 |
|
8.0451 8.0451 8.0451 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0056 |
|
AlA .125 .125 .125 .27 .0056 |
|
AlB .5 .5 .5 .865 .0063 |
|
MgB .5 .5 .5 .135 .0063 |
|
O .2614 .2614 .2614 .0094 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 7.342 GPa, disordered |
|
_database_code_amcsd 0004474 |
|
7.9928 7.9928 7.9928 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0038 |
|
AlA .125 .125 .125 .27 .0038 |
|
AlB .5 .5 .5 .865 .0043 |
|
MgB .5 .5 .5 .135 .0043 |
|
O .2612 .2612 .2612 .0081 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 8.027 GPa, disordered |
|
_database_code_amcsd 0004475 |
|
7.9874 7.9874 7.9874 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0041 |
|
AlA .125 .125 .125 .27 .0041 |
|
AlB .5 .5 .5 .865 .0051 |
|
MgB .5 .5 .5 .135 .0051 |
|
O .2613 .2613 .2613 .0094 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pollucite |
|
Gatta G D, Rotiroti N, Boffa Ballaran T, Sanchez-Valle C, Pavese A |
| |
American Mineralogist 94 (2009) 1137-1143 |
|
Elastic behavior and phase stability of pollucite, a potential host for nuclear waste |
|
Locality: Greenwood, Oxford County, Maine, USA |
|
_database_code_amcsd 0004971 |
|
13.667 13.667 13.667 90 90 90 Ia3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cs .125 .125 .125 .670 .0348 .0348 .0348 .0348 .0040 .0040 .0040 |
|
Wat .125 .125 .125 .330 .0348 .0348 .0348 .0348 .0040 .0040 .0040 |
|
Na .25 .125 0 .068 .022 |
|
SiT .125 .66217 .58783 .739 .0152 .0144 .0156 .0156 .0025 .0025 -.0022 |
|
AlT .125 .66217 .58783 .256 .0152 .0144 .0156 .0156 .0025 .0025 -.0022 |
|
O .1047 .1336 .7196 .0402 .049 .045 .025 .009 .0100 .0022 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 0.0001 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005060 |
|
9.8165 18.0126 5.3002 90 105.380 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .28484 .085290 .30361 .00866 .00910 .00813 .00838 -.00084 .00167 -.00030 |
|
SiT2 .29145 .172670 .81034 .00688 .00688 .00709 .00645 -.00064 .00139 .00051 |
|
FeM1 0 .07962 .5 .501 .01026 .00835 .01667 .00633 0 .00294 0 |
|
MgM1 0 .07962 .5 .499 .01026 .00835 .01667 .00633 0 .00294 0 |
|
MgM2 0 .17705 0 .800 .00693 .0076 .00643 .0069 0 .00211 0 |
|
FeM2 0 .17705 0 .200 .00693 .0076 .00643 .0069 0 .00211 0 |
|
MgM3 0 0 0 .682 .00730 .0089 .0061 .0060 0 .0003 0 |
|
FeM3 0 0 0 .318 .00730 .0089 .0061 .0060 0 .0003 0 |
|
CaM4 0 .27860 .5 .892 .01021 .0129 .0082 .01164 0 .00697 0 |
|
MgM4' 0 .2573 .5 .107 .016 |
|
NaAm .5282 0 .0586 .529 .055 .080 .0333 .086 0 .080 0 |
|
KA2 0 .4659 0 .050 .039 |
|
O1 .10776 .08648 .2195 .00929 .0085 .0103 .0089 -.0013 .0020 -.0005 |
|
O2 .11798 .17048 .7265 .00958 .0076 .0110 .0097 .0001 .0014 .0006 |
|
O3 .10423 0 .7154 .0127 .0103 .0146 .0118 0 .0006 0 |
|
O4 .36431 .25155 .7885 .01262 .0146 .0099 .0129 -.0022 .0030 .0012 |
|
O5 .35135 .14023 .1090 .01303 .0107 .0159 .0115 -.0003 .0012 .0048 |
|
O6 .34857 .11834 .6079 .01341 .0113 .0157 .0132 .0002 .0032 -.0045 |
|
O7 .34548 0 .2841 .0175 .0129 .0151 .0228 0 .0020 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 0.26 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005061 |
|
9.806 17.999 5.296 90 105.43 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2849 .08527 .3041 .0093 |
|
SiT2 .2912 .17274 .8102 .0074 |
|
FeM1 0 .08006 .5 .50 .0100 |
|
MgM1 0 .08006 .5 .50 .0100 |
|
MgM2 0 .17691 0 .80 .0077 |
|
FeM2 0 .17691 0 .20 .0077 |
|
MgM3 0 0 0 .68 .0082 |
|
FeM3 0 0 0 .32 .0082 |
|
CaM4 0 .27852 .5 .89 .0102 |
|
MgM4' 0 .262 .5 .11 .014 |
|
NaAm .0361 .5 .0674 .53 .029 |
|
KA2 0 .482 0 .05 .029 |
|
O1 .1082 .08631 .2199 .0087 |
|
O2 .1184 .17031 .7275 .0102 |
|
OH3 .1055 0 .7165 .0123 |
|
O4 .3642 .2517 .7877 .0123 |
|
O5 .3523 .1403 .1109 .0133 |
|
O6 .3491 .1183 .6096 .0128 |
|
O7 .3460 0 .2833 .0176 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 2.85 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005062 |
|
9.718 17.870 5.259 90 105.80 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2875 .0849 .3064 .0091 |
|
SiT2 .2917 .1729 .8113 .0090 |
|
FeM1 0 .0798 .5 .50 .0109 |
|
MgM1 0 .0798 .5 .50 .0109 |
|
MgM2 0 .1765 0 .80 .0061 |
|
FeM2 0 .1765 0 .20 .0061 |
|
MgM3 0 0 0 .68 .0107 |
|
FeM3 0 0 0 .32 .0107 |
|
CaM4 0 .2791 .5 .89 .0097 |
|
MgM4' 0 .261 .5 .062 .00 |
|
NaAm .063 .5 .112 .28 .026 |
|
KA2 0 .494 0 .20 .04 |
|
O1 .1106 .0851 .2199 .006 |
|
O2 .1200 .1700 .7282 .011 |
|
OH3 .107 0 .716 .012 |
|
O4 .3597 .2521 .7822 .010 |
|
O5 .3535 .1432 .1169 .016 |
|
O6 .3510 .1167 .6141 .010 |
|
O7 .350 0 .279 .013 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 3.74 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005063 |
|
9.691 17.831 5.247 90 105.92 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2870 .08517 .3069 .0110 |
|
SiT2 .2922 .17285 .8119 .0084 |
|
FeM1 0 .07991 .5 .50 .0140 |
|
MgM1 0 .07991 .5 .50 .0140 |
|
MgM2 0 .17607 0 .80 .0088 |
|
FeM2 0 .17607 0 .20 .0088 |
|
MgM3 0 0 0 .68 .0103 |
|
FeM3 0 0 0 .32 .0103 |
|
CaM4 0 .2781 .5 .89 .0122 |
|
MgM4' 0 .261 .5 .11 .014 |
|
NaAm .036 .5 .061 .53 .027 |
|
KA2 0 .475 0 .04 .027 |
|
O1 .1104 .0856 .2225 .0129 |
|
O2 .1181 .1696 .7262 .0127 |
|
OH3 .1110 0 .7191 .0151 |
|
O4 .3629 .2525 .7843 .0151 |
|
O5 .3534 .1420 .1162 .0159 |
|
O6 .3513 .1169 .6165 .0150 |
|
O7 .3495 0 .2819 .0180 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 4.31 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005064 |
|
9.675 17.804 5.240 90 105.98 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2874 .0853 .3077 .0060 |
|
SiT2 .2911 .1732 .8127 .0075 |
|
FeM1 0 .0799 .5 .50 .0078 |
|
MgM1 0 .0799 .5 .50 .0078 |
|
MgM2 0 .1758 0 .80 .0065 |
|
FeM2 0 .1758 0 .20 .0065 |
|
MgM3 0 0 0 .68 .0043 |
|
FeM3 0 0 0 .32 .0043 |
|
CaM4 0 .2793 .5 .89 .0085 |
|
MgM4' 0 .265 .5 .11 .013 |
|
NaAm .037 .5 .066 .53 .030 |
|
KA2 0 .497 0 .10 .00 |
|
O1 .1105 .0859 .2224 .002 |
|
O2 .1176 .1698 .729 .010 |
|
OH3 .107 0 .717 .008 |
|
O4 .3622 .2536 .783 .007 |
|
O5 .3533 .1437 .1189 .012 |
|
O6 .3505 .1164 .6169 .009 |
|
O7 .350 0 .280 .017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 4.84 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005065 |
|
9.660 17.781 5.233 90 106.03 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2897 .0847 .3095 .007 |
|
SiT2 .2931 .1726 .8129 .008 |
|
FeM1 0 .0791 .5 .50 .008 |
|
MgM1 0 .0791 .5 .50 .008 |
|
MgM2 0 .1756 0 .80 .007 |
|
FeM2 0 .1756 0 .20 .007 |
|
MgM3 0 0 0 .68 .004 |
|
FeM3 0 0 0 .32 .004 |
|
CaM4 0 .2794 .5 .89 .007 |
|
MgM4' 0 .260 .5 .11 .000 |
|
NaAm .038 .5 .054 .53 .019 |
|
O1 .1097 .0860 .222 .002 |
|
O2 .116 .1693 .728 .009 |
|
OH3 .108 0 .717 .009 |
|
O4 .363 .2530 .787 .009 |
|
O5 .355 .1449 .119 .013 |
|
O6 .353 .1141 .622 .011 |
|
O7 .352 0 .276 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 6.35 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005066 |
|
9.620 17.717 5.216 90 106.18 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2887 .0845 .3083 .007 |
|
SiT2 .2900 .1730 .8121 .008 |
|
FeM1 0 .0788 .5 .50 .008 |
|
MgM1 0 .0788 .5 .50 .008 |
|
MgM2 0 .1754 0 .80 .007 |
|
FeM2 0 .1754 0 .20 .007 |
|
MgM3 0 0 0 .68 .004 |
|
FeM3 0 0 0 .32 .004 |
|
CaM4 0 .2794 .5 .89 .007 |
|
MgM4' 0 .25 .5 .11 .000 |
|
NaAm .036 .5 .056 .53 .019 |
|
O1 .107 .0868 .218 .002 |
|
O2 .113 .1703 .727 .009 |
|
OH3 .111 0 .714 .009 |
|
O4 .365 .2534 .791 .009 |
|
O5 .356 .1457 .122 .013 |
|
O6 .352 .1152 .623 .011 |
|
O7 .350 0 .276 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 0.0001 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005067 |
|
9.866 18.054 5.318 90 105.22 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .28206 .085610 .30283 .00872 .00855 .00867 .00848 -.00092 .00140 -.00021 |
|
SiT2 .29118 .172748 .81140 .00694 .00651 .00774 .00626 -.00078 .00111 .00035 |
|
MgM1 0 .08477 .5 .604 .01264 .0090 .0228 .00656 .000 .00273 .000 |
|
FeM1 0 .08477 .5 .396 .01264 .0090 .0228 .00656 .000 .00273 .000 |
|
MgM2 0 .17755 0 .692 .00697 .0071 .00706 .00676 .000 .00180 .000 |
|
FeM2 0 .17755 0 .308 .00697 .0071 .00706 .00676 .000 .00180 .000 |
|
MgM3 0 0 0 .607 .00797 .0098 .0065 .0064 .000 .00011 .000 |
|
FeM3 0 0 0 .393 .00797 .0098 .0065 .0064 .000 .00011 .000 |
|
CaM4 0 .27899 .5 .924 .0114 .0130 .0108 .01245 .000 .00694 .000 |
|
FeM4' 0 .2567 .5 .120 .015 |
|
KAM .5358 0 .0701 .342 .0623 .086 .0448 .085 .000 .072 .000 |
|
NaA2 0 .4669 0 .055 .012 |
|
O1 .10672 .08809 .21790 .01098 .0090 .0134 .0101 -.0015 .0017 -.0005 |
|
O2 .11882 .17250 .73047 .01044 .0077 .0123 .0105 -.0001 .0009 .0012 |
|
O3 .10764 0 .7117 .0140 .0108 .0178 .0128 .000 .0019 .000 |
|
O4 .36636 .25070 .78898 .01346 .0160 .0110 .0132 -.0024 .0034 .0012 |
|
O5 .35050 .13952 .10879 .01342 .0102 .0172 .0117 .0002 .0007 .0056 |
|
O6 .34587 .11772 .60748 .01456 .0117 .0171 .0144 .0009 .0027 -.0049 |
|
O7 .34077 0 .2829 .0177 .0138 .0149 .0229 .000 .0020 .000 |
|
H .207 0 .743 .050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 0.67 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005068 |
|
9.841 18.019 5.307 90.00 105.330 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2816 .0857 .3040 .009 |
|
SiT2 .2906 .1725 .8123 .007 |
|
MgM1 0 .0849 .5 .60 .012 |
|
FeM1 0 .0849 .5 .40 .012 |
|
MgM2 0 .1772 0 .69 .007 |
|
FeM2 0 .1772 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2784 .5 .94 .012 |
|
FeM4' 0 .254 .5 .05 .015 |
|
KAM .538 0 .057 .27 .025 |
|
O1 .1056 .0868 .2174 .011 |
|
O2 .1195 .1726 .7326 .010 |
|
OH3 .116 0 .712 .013 |
|
O4 .3660 .2502 .7919 .014 |
|
O5 .3498 .1399 .1113 .012 |
|
O6 .3455 .1179 .6110 .013 |
|
O7 .336 0 .277 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 3.65 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005069 |
|
9.737 17.873 5.264 90.00 105.76 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2832 .0855 .3047 .009 |
|
SiT2 .2905 .1730 .8156 .007 |
|
MgM1 0 .0843 .5 .60 .012 |
|
FeM1 0 .0843 .5 .40 .012 |
|
MgM2 0 .1765 0 .69 .007 |
|
FeM2 0 .1765 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2777 .5 .94 .012 |
|
FeM4' 0 .269 .5 .05 .015 |
|
KAM .536 0 .054 .27 .025 |
|
O1 .1046 .0870 .220 .011 |
|
O2 .1175 .1717 .733 .010 |
|
OH3 .112 0 .720 .013 |
|
O4 .3658 .2517 .789 .014 |
|
O5 .3497 .1422 .114 .012 |
|
O6 .3490 .1166 .6172 .013 |
|
O7 .343 0 .278 .016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 4.54 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005070 |
|
9.710 17.833 5.253 90.00 105.85 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2871 .0851 .3060 .009 |
|
SiT2 .2914 .1734 .8150 .007 |
|
MgM1 0 .0835 .5 .60 .012 |
|
FeM1 0 .0835 .5 .40 .012 |
|
MgM2 0 .1770 0 .69 .007 |
|
FeM2 0 .1770 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2779 .5 .94 .012 |
|
FeM4' 0 .264 .5 .05 .015 |
|
KAM .534 0 .054 .27 .025 |
|
O1 .1054 .0872 .217 .011 |
|
O2 .1186 .1718 .732 .010 |
|
OH3 .121 0 .720 .013 |
|
O4 .367 .2510 .788 .014 |
|
O5 .354 .1431 .117 .012 |
|
O6 .351 .1148 .6217 .013 |
|
O7 .346 0 .275 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 5.42 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005071 |
|
9.685 17.794 5.242 90.00 105.94 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2858 .0852 .3045 .009 |
|
SiT2 .2921 .1734 .8163 .007 |
|
MgM1 0 .0836 .5 .60 .012 |
|
FeM1 0 .0836 .5 .40 .012 |
|
MgM2 0 .1763 0 .69 .007 |
|
FeM2 0 .1763 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2766 .5 .94 .012 |
|
FeM4' 0 .287 .5 .05 .015 |
|
KAM .528 0 .042 .27 .025 |
|
O1 .1073 .0871 .223 .011 |
|
O2 .1172 .1723 .735 .010 |
|
OH3 .117 0 .722 .013 |
|
O4 .368 .2522 .787 .014 |
|
O5 .3520 .1445 .119 .012 |
|
O6 .3459 .1153 .6179 .013 |
|
O7 .350 0 .278 .016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phase-D (Al-rich) |
| |
Boffa Ballaran T, Frost D J, Miyajima N, Heidelbach F |
| |
American Mineralogist 95 (2010) 1113-1116 |
|
The structure of a super-aluminous version of the dense |
|
hydrous-magnesium silicate phase D |
|
Locality: synthetic |
|
_database_code_amcsd 0005072 |
|
4.7621 4.7621 4.2964 90 90 120 P-31m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM1 0 0 0 .06 .0194 .0194 .0160 .0097 0 0 |
|
FeM1 0 0 0 .07 .0194 .0194 .0160 .0097 0 0 |
|
AlM1 0 0 0 .49 .0194 .0194 .0160 .0097 0 0 |
|
SiM1 0 0 0 .33 .0194 .0194 .0160 .0097 0 0 |
|
MgM2 1/3 2/3 .5 .04 .0107 .0107 .0115 .00535 0 0 |
|
FeM2 1/3 2/3 .5 .05 .0107 .0107 .0115 .00535 0 0 |
|
AlM2 1/3 2/3 .5 .32 .0107 .0107 .0115 .00535 0 0 |
|
SiM2 1/3 2/3 .5 .22 .0107 .0107 .0115 .00535 0 0 |
|
MgM3 1/3 2/3 0 .01 .0057 .0057 .0049 .00285 0 0 |
|
FeM3 1/3 2/3 0 .02 .0057 .0057 .0049 .00285 0 0 |
|
AlM3 1/3 2/3 0 .10 .0057 .0057 .0049 .00285 0 0 |
|
SiM3 1/3 2/3 0 .07 .0057 .0057 .0049 .00285 0 0 |
|
O .6659 0 .2500 .0171 .0174 .0173 .0087 -.0042 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
The Canadian Mineralogist 46 (2008) 1465-1476 |
|
The mechanism of coupling in the modulated structure of nepheline |
|
Locality: Snipe River, Tambani, Malawi |
|
Note: natural sample |
|
Note: T = 110 K |
|
_database_code_amcsd 0006202 |
|
9.9820 9.9820 8.3670 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K 0 0 .0031 .57 .024 |
|
Na1 0 0 .0031 .24 .024 |
|
Na2 .5547 .9971 .5082 .017 |
|
Al1 2/3 1/3 .7014 .48 .010 |
|
Si1 2/3 1/3 .7014 .52 .010 |
|
Al2 2/3 1/3 .3137 .48 .012 |
|
Si2 2/3 1/3 .3137 .52 .012 |
|
Al3 .9064 .6660 .8222 .48 .012 |
|
Si3 .9064 .6660 .8222 .52 .012 |
|
Al4 .9071 .6672 .1959 .48 .010 |
|
Si4 .9071 .6672 .1959 .52 .010 |
|
O1 .6611 .2825 .5005 1/3 .024 |
|
O2 .9734 .6822 .0022 .034 |
|
O3 .8270 .4774 .2518 .038 |
|
O4 .8374 .4891 .7613 .032 |
|
O5 .7736 .7143 .8253 .016 |
|
O6 .7765 .7329 .2012 .018 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
The Canadian Mineralogist 46 (2008) 1465-1476 |
|
The mechanism of coupling in the modulated structure of nepheline |
|
Locality: Snipe River, Tambani, Malawi |
|
Note: natural sample |
|
Note: T = 200 K |
|
_database_code_amcsd 0006203 |
|
9.9890 9.9890 8.3687 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K 0 0 .0034 .57 .028 |
|
Na1 0 0 .0034 .24 .028 |
|
Na2 .5545 .9972 .5081 .021 |
|
Al1 2/3 1/3 .7014 .48 .012 |
|
Si1 2/3 1/3 .7014 .52 .012 |
|
Al2 2/3 1/3 .3134 .48 .013 |
|
Si2 2/3 1/3 .3134 .52 .013 |
|
Al3 .9061 .6660 .8223 .48 .013 |
|
Si3 .9061 .6660 .8223 .52 .013 |
|
Al4 .9068 .6675 .1959 .48 .011 |
|
Si4 .9068 .6675 .1959 .52 .011 |
|
O1 .6620 .2858 .5015 1/3 .028 |
|
O2 .9734 .6830 .0027 .033 |
|
O3 .8269 .4775 .2516 .037 |
|
O4 .8373 .4896 .7629 .033 |
|
O5 .7736 .7145 .8249 .018 |
|
O6 .7765 .7330 .2011 .021 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
The Canadian Mineralogist 46 (2008) 1465-1476 |
|
The mechanism of coupling in the modulated structure of nepheline |
|
Locality: Snipe River, Tambani, Malawi |
|
Note: natural sample |
|
Note: T = 290 K |
|
_database_code_amcsd 0006204 |
|
9.9995 9.9995 8.3766 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K 0 0 .0037 .57 .033 |
|
Na1 0 0 .0037 .24 .033 |
|
Na2 .5541 .9972 .5080 .025 |
|
Al1 2/3 1/3 .7015 .48 .013 |
|
Si1 2/3 1/3 .7015 .52 .013 |
|
Al2 2/3 1/3 .3132 .48 .014 |
|
Si2 2/3 1/3 .3132 .52 .014 |
|
Al3 .9057 .6661 .8224 .48 .014 |
|
Si3 .9057 .6661 .8224 .52 .014 |
|
Al4 .9064 .6676 .1959 .48 .012 |
|
Si4 .9064 .6676 .1959 .52 .012 |
|
O1 .6620 .2891 .5013 1/3 .033 |
|
O2 .9729 .6835 .0027 .034 |
|
O3 .8265 .4775 .2514 .038 |
|
O4 .8367 .4898 .7642 .034 |
|
O5 .7737 .7147 .8241 .020 |
|
O6 .7760 .7329 .2011 .023 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
The Canadian Mineralogist 46 (2008) 1465-1476 |
|
The mechanism of coupling in the modulated structure of nepheline |
|
Locality: Snipe River, Tambani, Malawi |
|
Note: annealed |
|
Note: T = 220 K |
|
_database_code_amcsd 0006205 |
|
9.9751 9.9751 8.3658 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K 0 0 .0031 .57 .028 |
|
Na1 0 0 .0031 .24 .028 |
|
Na2 .5547 .9979 .5081 .020 |
|
Al1 2/3 1/3 .7017 .48 .011 |
|
Si1 2/3 1/3 .7017 .52 .011 |
|
Al2 2/3 1/3 .3124 .48 .012 |
|
Si2 2/3 1/3 .3124 .52 .012 |
|
Al3 .9066 .6664 .8226 .48 .011 |
|
Si3 .9066 .6664 .8226 .52 .011 |
|
Al4 .9071 .6679 .1958 .48 .010 |
|
Si4 .9071 .6679 .1958 .52 .010 |
|
O1 .6640 .2910 .5023 1/3 .028 |
|
O2 .9743 .6842 .0022 .028 |
|
O3 .8272 .4773 .2512 .033 |
|
O4 .8373 .4896 .7645 .029 |
|
O5 .7739 .7145 .8252 .016 |
|
O6 .7767 .7335 .2007 .018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
The Canadian Mineralogist 46 (2008) 1465-1476 |
|
The mechanism of coupling in the modulated structure of nepheline |
|
Locality: Snipe River, Tambani, Malawi |
|
Note: annealed |
|
Note: T = 150 K |
|
_database_code_amcsd 0006206 |
|
9.9698 9.9698 8.3615 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K 0 0 .0029 .57 .024 |
|
Na1 0 0 .0029 .24 .024 |
|
Na2 .5550 .9978 .5082 .017 |
|
All 2/3 1/3 .7017 .48 .01 |
|
Sil 2/3 1/3 .7017 .52 .01 |
|
Al2 2/3 1/3 .3124 .48 .011 |
|
Si2 2/3 1/3 .3124 .52 .011 |
|
Al3 .9067 .6662 .8226 .48 .010 |
|
Si3 .9067 .6662 .8226 .52 .010 |
|
Al4 .9073 .6677 .1958 .48 .009 |
|
Si4 .9073 .6677 .1958 .52 .009 |
|
O1 .6623 .2875 .5015 1/3 .024 |
|
O2 .9745 .6837 .0023 .028 |
|
O3 .8273 .4771 .2517 .033 |
|
O4 .8377 .4894 .7635 .029 |
|
O5 .7739 .7143 .8255 .014 |
|
O6 .7767 .7333 .2008 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
The Canadian Mineralogist 46 (2008) 1465-1476 |
|
The mechanism of coupling in the modulated structure of nepheline |
|
Locality: Snipe River, Tambani, Malawi |
|
Note: annealed |
|
Note: T = 100 K |
|
_database_code_amcsd 0006207 |
|
9.9685 9.9685 8.3608 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K 0 0 .0028 .57 .022 |
|
Na1 0 0 .0028 .24 .022 |
|
Na2 .5551 .9976 .5085 .015 |
|
Al1 2/3 1/3 .7017 .48 .009 |
|
Si1 2/3 1/3 .7017 .52 .009 |
|
Al2 2/3 1/3 .3124 .48 .010 |
|
Si2 2/3 1/3 .3124 .52 .010 |
|
Al3 .9067 .6661 .8225 .48 .010 |
|
Si3 .9067 .6661 .8225 .52 .010 |
|
Al4 .9074 .6675 .1958 .48 .008 |
|
Si4 .9074 .6675 .1958 .52 .008 |
|
O1 .6605 .2846 .5008 1/3 .021 |
|
O2 .9743 .6830 .0023 .029 |
|
O3 .8273 .4771 .2518 .033 |
|
O4 .8379 .4894 .7624 .034 |
|
O5 .7736 .7141 .8257 .014 |
|
O6 .7769 .7333 .2011 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
The Canadian Mineralogist 46 (2008) 1465-1476 |
|
The mechanism of coupling in the modulated structure of nepheline |
|
Locality: Snipe River, Tambani, Malawi |
|
Note: annealed |
|
Note: T = 15 K |
|
_database_code_amcsd 0006208 |
|
9.9801 9.9801 8.3707 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K 0 0 .0037 .57 .022 |
|
Na1 0 0 .0037 .24 .022 |
|
Na2 .5554 .9976 .5086 .017 |
|
Al1 2/3 1/3 .7010 .48 .012 |
|
Si1 2/3 1/3 .7010 .52 .012 |
|
Al2 2/3 1/3 .3136 .48 .014 |
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Si2 2/3 1/3 .3136 .52 .014 |
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Al3 .9067 .6658 .8222 .48 .014 |
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Si3 .9067 .6658 .8222 .52 .014 |
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Al4 .9073 .6671 .1961 .48 .012 |
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Si4 .9073 .6671 .1961 .52 .012 |
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O1 .6602 .2797 .5053 1/3 .023 |
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O2 .9732 .6814 .0034 .035 |
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O3 .8287 .4781 .2515 .038 |
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O4 .8365 .4889 .7610 .034 |
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O5 .7746 .7152 .8251 .019 |
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O6 .7762 .7315 .2007 .020 |
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Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
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The Canadian Mineralogist 46 (2008) 1465-1476 |
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The mechanism of coupling in the modulated structure of nepheline |
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Locality: Snipe River, Tambani, Malawi |
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Note: annealed |
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Note: T = 298 K |
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_database_code_amcsd 0006209 |
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9.9867 9.9861 8.3697 90 90 120 P6_3 |
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atom x y z occ Uiso |
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K 0 0 .0030 .57 .032 |
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Na1 0 0 .0030 .24 .032 |
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Na2 .5545 .9980 .5080 .024 |
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Al1 2/3 1/3 .7018 .48 .012 |
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Si1 2/3 1/3 .7018 .52 .012 |
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Al2 2/3 1/3 .3123 .48 .013 |
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Si2 2/3 1/3 .3123 .52 .013 |
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Al3 .9063 .6665 .8226 .48 .012 |
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Si3 .9063 .6665 .8226 .52 .012 |
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Al4 .9067 .6680 .1959 .48 .010 |
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Si4 .9067 .6680 .1959 .52 .010 |
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O1 .6660 .2950 .5021 1/3 .030 |
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O2 .9739 .6845 .0022 .028 |
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O3 .8267 .4773 .2508 .033 |
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O4 .8371 .4898 .7651 .030 |
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O5 .7739 .7148 .8246 .018 |
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O6 .7764 .7334 .2008 .021 |
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Bismuthinite |
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Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
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Physics and Chemistry of Minerals 32 (2005) 578-584 |
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Crystal structure and cation lone electron pair activity |
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of Bi2S3 between 0 and 10 GPa |
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Locality: synthetic |
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Sample: P = .0001 GPa |
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_database_code_amcsd 0009004 |
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11.269 3.9717 11.129 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 .0164 .25 .6745 .0204 |
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Bi2 .3406 .25 .4661 .0210 |
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S1 .0494 .25 .1311 .019 |
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S2 .3773 .25 .0604 .022 |
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S3 .2165 .25 .8069 .019 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
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Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
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Locality: synthetic |
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Sample: P = .97 GPa |
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_database_code_amcsd 0009005 |
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11.136 3.9574 11.035 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 .0123 .25 .6746 .0192 |
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Bi2 .3381 .25 .4658 .0223 |
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S1 .0503 .25 .1266 .014 |
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S2 .3742 .25 .0603 .016 |
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S3 .2171 .25 .8062 .018 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
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Sample: P = 2.43 GPa |
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_database_code_amcsd 0009006 |
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10.987 3.9353 10.903 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 .0077 .25 .6744 .0168 |
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Bi2 .3347 .25 .4660 .0200 |
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S1 .0526 .25 .1294 .015 |
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S2 .3744 .25 .0591 .017 |
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S3 .2200 .25 .8033 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
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Sample: P = 3.53 GPa |
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_database_code_amcsd 0009007 |
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10.907 3.9191 10.822 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 .0049 .25 .6744 .0173 |
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Bi2 .3331 .25 .4663 .0209 |
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S1 .0527 .25 .1280 .012 |
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S2 .3737 .25 .0610 .014 |
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S3 .2211 .25 .8026 .021 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
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Sample: P = 5.92 GPa |
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_database_code_amcsd 0009008 |
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10.758 3.8833 10.650 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 -.0004 .25 .6744 .0161 |
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Bi2 .3292 .25 .4668 .0182 |
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S1 .0523 .25 .1297 .014 |
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S2 .3754 .25 .0599 .015 |
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S3 .2207 .25 .7983 .012 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
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Sample: P = 7.22 GPa |
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_database_code_amcsd 0009009 |
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10.701 3.8655 10.565 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 -.0029 .25 .6744 .0160 |
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Bi2 .3275 .25 .4674 .0177 |
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S1 .0493 .25 .1296 .011 |
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S2 .3745 .25 .0607 .016 |
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S3 .2232 .25 .7990 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
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Sample: P = 8.30 GPa |
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_database_code_amcsd 0009010 |
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10.659 3.8525 10.510 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 -.0046 .25 .6746 .0157 |
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Bi2 .3263 .25 .4674 .0167 |
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S1 .0534 .25 .1301 .012 |
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S2 .3752 .25 .0613 .014 |
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S3 .2225 .25 .7966 .015 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
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Sample: P = 9.18 GPa |
|
_database_code_amcsd 0009011 |
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10.634 3.8423 10.463 90 90 90 Pnma |
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atom x y z Uiso |
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Bi1 -.0056 .25 .6748 .0155 |
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Bi2 .3253 .25 .4677 .0171 |
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S1 .0529 .25 .1296 .013 |
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S2 .3724 .25 .0602 .015 |
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S3 .2223 .25 .7963 .013 |
|
|
| 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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