|
Ringwoodite |
 |
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
 |
American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
|
Sample: Ringby4 |
|
_database_code_amcsd 0003158 |
|
8.0633 8.0633 8.0633 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiTet .125 .125 .125 .00426 .00426 .00426 0 0 0 |
|
MgOct .5 .5 .5 .998 .00516 .00516 .00516 -.00058 -.00058 -.00058 |
|
O .24391 .24391 .24391 .00459 .00459 .00459 -.00044 -.00044 -.00044 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ringwoodite |
|
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
|
American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
|
Sample: Ringby2 |
|
_database_code_amcsd 0003159 |
|
8.0682 8.0682 8.0682 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiTet .125 .125 .125 .994 .00405 .00405 .00405 0 0 0 |
|
MgOct .5 .5 .5 .972 .00488 .00488 .00488 -.00032 -.00032 -.00032 |
|
O .24393 .24393 .24393 .00475 .00475 .00475 -.00051 -.00051 -.00051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ringwoodite |
|
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
|
American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
|
Sample: Ringby5 |
|
_database_code_amcsd 0003160 |
|
8.0687 8.0687 8.0687 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiTet .125 .125 .125 .00479 .00479 .00479 0 0 0 |
|
MgOct .5 .5 .5 .973 .00556 .00556 .00556 -.00060 -.00060 -.00060 |
|
O .24377 .24377 .24377 .00545 .00545 .00545 -.00056 -.00056 -.00056 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ringwoodite |
|
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
|
American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
|
Sample: SZ0107 |
|
_database_code_amcsd 0003161 |
|
8.09027 8.09027 8.09027 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiTet .125 .125 .125 .995 .00458 .00458 .00458 0 0 0 |
|
MgOct .5 .5 .5 .854 .00489 .00489 .00489 -.00042 -.00042 -.00042 |
|
FeOct .5 .5 .5 .103 .00489 .00489 .00489 -.00042 -.00042 -.00042 |
|
O .24354 .24354 .24354 .00530 .00530 .00530 -.00030 -.00030 -.00030 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ringwoodite |
|
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
|
American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
|
Sample: SZ0002 |
|
_database_code_amcsd 0003162 |
|
8.0904 8.0904 8.0904 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiTet .125 .125 .125 .00590 .00590 .00590 0 0 0 |
|
MgOct .5 .5 .5 .869 .00547 .00547 .00547 -.00039 -.00039 -.00039 |
|
FeOct .5 .5 .5 .108 .00547 .00547 .00547 -.00039 -.00039 -.00039 |
|
O .24345 .24345 .24345 .00601 .00601 .00601 -.00006 -.00006 -.00006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ringwoodite |
|
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
|
American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
|
Sample: SZ9901 |
|
_database_code_amcsd 0003163 |
|
8.0944 8.0944 8.0944 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiTet .125 .125 .125 .00581 .00581 .00581 0 0 0 |
|
MgOct .5 .5 .5 .866 .00548 .00548 .00548 -.00045 -.00045 -.00045 |
|
FeOct .5 .5 .5 .115 .00548 .00548 .00548 -.00045 -.00045 -.00045 |
|
O .24328 .24328 .24328 .00530 .00530 .00530 -.00026 -.00026 -.00026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ringwoodite |
|
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
|
American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
|
Sample: SZ0104 |
|
_database_code_amcsd 0003164 |
|
8.1053 8.1053 8.1053 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiTet .125 .125 .125 .987 .00673 .00673 .00673 0 0 0 |
|
MgOct .5 .5 .5 .832 .00564 .00564 .00564 -.00064 -.00064 -.00064 |
|
FeOct .5 .5 .5 .129 .00564 .00564 .00564 -.00064 -.00064 -.00064 |
|
O .24341 .24341 .24341 .00668 .00668 .00668 .00002 .00002 .00002 |
|
|
| 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 |
|
_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
|
| |
|
Enstatite |
|
Smyth J R, Mierdel K, Keppler H, Langenhorst F, Dubrovinsky L, Nestola F |
| |
American Mineralogist 92 (2007) 973-976 |
|
Crystal chemistry of hydration in aluminous orthopyroxene |
|
Locality: synthetic |
|
_database_code_amcsd 0004362 |
|
18.1876 8.7352 5.1789 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .37904 .48367 .35223 .958 .0086 .0104 .0101 .0054 -.0012 -.0020 .0000 |
|
MgM1 .37604 .65378 .86086 .79 .0061 .0062 .0080 .0042 -.0001 -.0009 -.0002 |
|
AlM1 .37604 .65378 .86086 .21 .0061 .0062 .0080 .0042 -.0001 -.0009 -.0002 |
|
Si1 .27135 .34230 .04527 .0058 .0056 .0080 .0039 -.0006 -.0001 .0002 |
|
Si2 .47307 .33717 .80610 .75 .0075 .0068 .0097 .0060 .0001 .0002 .0004 |
|
Al2 .47307 .33717 .80610 .25 .0075 .0068 .0097 .0060 .0001 .0002 .0004 |
|
O1a .18267 .3391 .0325 .0082 .0057 .0117 .0072 -.0012 -.0010 .0016 |
|
O2a .31066 .5049 .0380 .0082 .0084 .0102 .0061 -.0020 -.0005 .0002 |
|
O3a .30260 .2233 -.1737 .0083 .0079 .0121 .0051 -.0003 .0001 -.0017 |
|
O1b .56356 .3374 .8088 .0090 .0077 .0114 .0079 -.0008 .0016 .0020 |
|
O2b .43269 .4854 .6889 .0093 .0091 .0132 .0055 -.0017 -.0011 .0004 |
|
O3b .44653 .1910 .6142 .0093 .0079 .0108 .0092 .0002 .0010 -.0023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wadsleyite II |
| |
Smyth J R, Holl C M, Langenhorst F, Laustsen H M S, Rossman G R, Kleppe A, |
|
McCammon C A, Kawamoto T, van Aken P A |
| |
Physics and Chemistry of Minerals 31 (2005) 691-705 |
|
Crystal chemistry of wadsleyite II and water in the Earth's interior |
|
Sample: 1 |
|
Reported formula: Mg1.71 Fe.18 Al.01 H.33 Si.96 O4 |
|
_database_code_amcsd 0008922 |
|
5.6884 28.9238 8.2382 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .25 .25 .75 .0092 .0099 .0081 .0096 0 .0046 0 |
|
Mg2 .5 .19993 .4938 .0110 .013 .0051 .0146 0 0 .0004 |
|
Mg3 .5 .10025 .5287 .96 .0083 .0096 .0068 .0084 0 0 -.0001 |
|
Fe2+3 .5 .10025 .5287 .02 .0083 .0096 .0068 .0084 0 0 -.0001 |
|
Fe3+3 .5 .10025 .5287 .02 .0083 .0096 .0068 .0084 0 0 -.0001 |
|
Mg4 .5 0 .5 .0109 .012 .006 .014 0 0 -.0026 |
|
Mg5 .25 .14993 .25 .904 .0091 .0081 .0112 .0081 0 -.0038 0 |
|
Mg6 .25 .04885 .25 .954 .0069 .0061 .0090 .0058 0 -.0003 0 |
|
Si1 0 .25 .3774 .253 .0068 .0055 .0068 .0080 0 0 0 |
|
Si2 0 .15249 .6167 .458 .0050 .0057 .0043 .0048 0 0 .0002 |
|
Si3 0 .04869 .6157 .502 .0073 .0063 .0077 .0078 0 0 .0001 |
|
O1 0 -.00491 .2570 .5 .0073 .010 .012 .010 0 0 .0025 |
|
O2 0 .09960 .2246 .5 .0109 .0071 .0136 .0119 0 0 .0003 |
|
O3 0 .20301 .2598 .5 .0098 .009 .0109 .0089 0 0 .0007 |
|
O4 .2377 .05008 .5056 .0126 .016 .0110 .0104 -.0025 .0013 -.0007 |
|
O5 .2411 .15066 .5050 .0041 .0023 .0016 .0083 -.002 .0018 .0004 |
|
O6 .2416 .25 .4956 .5 .0096 .006 .012 .011 0 .0032 0 |
|
O7 0 .09990 .7174 .5 .0099 .0087 .0128 .0082 0 0 .0014 |
|
O8 0 .19653 .7468 .5 .0107 .008 .0160 .0081 0 0 .0039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wadsleyite II |
| |
Smyth J R, Holl C M, Langenhorst F, Laustsen H M S, Rossman G R, Kleppe A, |
|
McCammon C A, Kawamoto T, van Aken P A |
| |
Physics and Chemistry of Minerals 31 (2005) 691-705 |
|
Crystal chemistry of wadsleyite II and water in the Earth's interior |
|
Sample: 2 |
|
Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4 |
|
_database_code_amcsd 0008923 |
|
5.6896 29.104 8.243 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .25 .25 .75 .852 .0100 .009 .010 .012 0 .0006 0 |
|
Fe2+1 .25 .25 .75 .074 .0100 .009 .010 .012 0 .0006 0 |
|
Fe3+1 .25 .25 .75 .074 .0100 .009 .010 .012 0 .0006 0 |
|
Mg2 .5 .19934 .4927 .0093 .012 .003 .013 0 0 .0004 |
|
Mg3 .5 .0998 .5279 .95 .0098 .0110 .0076 .0106 0 0 .0035 |
|
Fe2+3 .5 .0998 .5279 .025 .0098 .0110 .0076 .0106 0 0 .0035 |
|
Fe3+3 .5 .0998 .5279 .025 .0098 .0110 .0076 .0106 0 0 .0035 |
|
Mg4 .5 0 .5 .91 .012 .011 .010 .016 0 0 -.0022 |
|
Fe2+4 .5 0 .5 .045 .012 .011 .010 .016 0 0 -.0022 |
|
Fe3+4 .5 0 .5 .045 .012 .011 .010 .016 0 0 -.0022 |
|
Mg5 .25 .15017 .25 .854 .0116 .0107 .014 .0102 0 -.0006 0 |
|
Mg6 .25 .04883 .25 .961 .0065 .0091 .0082 .0021 0 -.0023 0 |
|
Si1 0 .25 .3779 .256 .0089 .010 .008 .0087 0 0 0 |
|
Si2 0 .15225 .6163 .425 .0020 .0044 .0004 .0012 0 0 -.0002 |
|
Si3 0 .04876 .6158 .514 .0100 .0072 .0110 .0119 0 0 -.0009 |
|
O1 0 -.0051 .2518 .5 .0133 .014 .015 .011 0 0 -.006 |
|
O2 0 .0998 .2263 .5 .0126 .0060 .020 .012 0 0 -.005 |
|
O3 0 .2029 .2636 .5 .0093 .012 .012 .004 0 0 -.004 |
|
O4 .241 .0512 .5056 .019 .033 .005 .018 .000 -.003 -.002 |
|
O5 .2426 .1517 .5032 .0024 .000 .000 .0063 .001 -.0024 .0001 |
|
O6 .2350 .25 .4948 .5 .0032 -.004 .012 .001 0 -.0032 0 |
|
O7 0 .0990 .7171 .5 .0118 .012 .011 .013 0 0 -.008 |
|
O8 0 .1962 .7429 .5 .0101 .010 .009 .011 0 0 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Baddeleyite |
|
Swamy V, Dubrovinsky L S, Dubrovinskaia N A, Langenhorst F, |
|
Simionovici A S, Drakopoulos M, Dmitriev V, Weber H P |
| |
Solid State Communications 134 (2005) 541-546 |
|
Size effects on the structure and phase transition behavior of baddeleyite TiO2 |
|
Locality: synthetic |
|
_database_code_amcsd 0015497 |
|
4.589 4.849 4.736 90 98.6 90 P2_1/c |
|
atom x y z |
|
Ti1 .309 .045 .218 |
|
O1 .056 .347 .282 |
|
O2 .425 .727 .463 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
