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Ringwoodite |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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polymorphs of low and high density |
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normal |
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8.12 8.12 8.12 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Si .125 .125 .125 |
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Mg .5 .5 .5 |
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O .2416 .2416 .2416 |
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Ringwoodite |
|
Baur W H |
|
American Mineralogist 57 (1972) 709-731 |
|
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
|
polymorphs of low and high density |
|
inverse |
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8.17 8.17 8.17 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Si .5 .5 .5 .5 |
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Mg1 .5 .5 .5 .5 |
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Mg2 .125 .125 .125 |
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O .2630 .2630 .2630 |
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| Download AMC data (View Text File)
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Ringwoodite |
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Hazen R M, Downs R T, Finger L W |
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American Mineralogist 78 (1993) 1320-1323 |
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Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
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disorder |
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Sample: SUNY 859 |
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8.0709 8.0709 8.0709 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .00199 .00199 .00199 0 0 0 |
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Mg .5 .5 .5 .00263 .00263 .00263 -.00016 -.00016 -.00016 |
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O .2441 .2441 .2441 .00197 .00197 .00197 -.00004 -.00004 -.00004 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ringwoodite |
|
Hazen R M, Downs R T, Finger L W |
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American Mineralogist 78 (1993) 1320-1323 |
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Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
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disorder |
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Sample: SUNY 1013 |
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8.1763 8.1763 8.1763 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .00144 .00144 .00144 0 0 0 |
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Mg .5 .5 .5 .383 .00192 .00192 .00192 .00004 .00004 .00004 |
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Fe .5 .5 .5 .617 .00192 .00192 .00192 .00004 .00004 .00004 |
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O .2420 .2420 .2420 .00212 .00212 .00212 .00001 .00001 .00001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ringwoodite |
|
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 78 (1993) 1320-1323 |
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Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
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disorder |
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Sample: SUNY 1097 |
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8.2030 8.2030 8.2030 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .00147 .00147 .00147 0 0 0 |
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Mg .5 .5 .5 .21 .00180 .00180 .00180 .00001 .00001 .00001 |
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Fe .5 .5 .5 .79 .00180 .00180 .00180 .00001 .00001 .00001 |
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O .2415 .2415 .2415 .00209 .00209 .00209 -.00007 -.00007 -.00007 |
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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
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| |
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Ringwoodite |
|
Hazen R M, Downs R T, Finger L W |
|
American Mineralogist 78 (1993) 1320-1323 |
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Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si |
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disorder |
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Sample: SUNY 1102 |
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8.2059 8.2059 8.2059 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .00157 .00157 .00157 0 0 0 |
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Mg .5 .5 .5 .218 .00208 .00208 .00208 .00002 .00002 .00002 |
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Fe .5 .5 .5 .782 .00208 .00208 .00208 .00002 .00002 .00002 |
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O .2418 .2418 .2418 .00212 .00212 .00212 .00037 .00037 .00037 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ringwoodite |
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Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
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American Mineralogist 88 (2003) 1402-1407 |
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Structural systematics of hydrous ringwoodite and water in Earth's interior |
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Sample: Ringby4 |
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8.0633 8.0633 8.0633 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiTet .125 .125 .125 .00426 .00426 .00426 0 0 0 |
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MgOct .5 .5 .5 .998 .00516 .00516 .00516 -.00058 -.00058 -.00058 |
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O .24391 .24391 .24391 .00459 .00459 .00459 -.00044 -.00044 -.00044 |
|
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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
|
| |
|
Ringwoodite |
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Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A |
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American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
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Sample: Ringby2 |
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8.0682 8.0682 8.0682 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiTet .125 .125 .125 .994 .00405 .00405 .00405 0 0 0 |
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MgOct .5 .5 .5 .972 .00488 .00488 .00488 -.00032 -.00032 -.00032 |
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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 |
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American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
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Sample: Ringby5 |
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8.0687 8.0687 8.0687 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiTet .125 .125 .125 .00479 .00479 .00479 0 0 0 |
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MgOct .5 .5 .5 .973 .00556 .00556 .00556 -.00060 -.00060 -.00060 |
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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 |
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American Mineralogist 88 (2003) 1402-1407 |
|
Structural systematics of hydrous ringwoodite and water in Earth's interior |
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Sample: SZ0107 |
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8.09027 8.09027 8.09027 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiTet .125 .125 .125 .995 .00458 .00458 .00458 0 0 0 |
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MgOct .5 .5 .5 .854 .00489 .00489 .00489 -.00042 -.00042 -.00042 |
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FeOct .5 .5 .5 .103 .00489 .00489 .00489 -.00042 -.00042 -.00042 |
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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 |
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Sample: SZ0002 |
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8.0904 8.0904 8.0904 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiTet .125 .125 .125 .00590 .00590 .00590 0 0 0 |
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MgOct .5 .5 .5 .869 .00547 .00547 .00547 -.00039 -.00039 -.00039 |
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FeOct .5 .5 .5 .108 .00547 .00547 .00547 -.00039 -.00039 -.00039 |
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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 |
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Sample: SZ9901 |
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8.0944 8.0944 8.0944 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiTet .125 .125 .125 .00581 .00581 .00581 0 0 0 |
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MgOct .5 .5 .5 .866 .00548 .00548 .00548 -.00045 -.00045 -.00045 |
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FeOct .5 .5 .5 .115 .00548 .00548 .00548 -.00045 -.00045 -.00045 |
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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 |
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8.1053 8.1053 8.1053 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiTet .125 .125 .125 .987 .00673 .00673 .00673 0 0 0 |
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MgOct .5 .5 .5 .832 .00564 .00564 .00564 -.00064 -.00064 -.00064 |
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FeOct .5 .5 .5 .129 .00564 .00564 .00564 -.00064 -.00064 -.00064 |
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O .24341 .24341 .24341 .00668 .00668 .00668 .00002 .00002 .00002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ringwoodite |
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Kudoh Y, Kuribayashi T, Mizobata H, Ohtami E |
| |
Physics and Chemistry of Minerals 27 (2000) 474-479 |
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Structure and cation disorder of hydrous ringwoodite, |
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gamma-Mg1.89Si0.98H0.30O4 |
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8.0693 8.0693 8.0693 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM 1/2 1/2 1/2 .92 .56 .0071 .0071 .0071 -.0009 -.0009 -.0009 |
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SiM 1/2 1/2 1/2 .025 .56 .0071 .0071 .0071 -.0009 -.0009 -.0009 |
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MgT 1/8 1/8 1/8 .05 .45 .0057 .0057 .0057 0 0 0 |
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SiT 1/8 1/8 1/8 .93 .45 .0057 .0057 .0057 0 0 0 |
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O .2439 .2439 .2439 .925 .69 .0087 .0087 .0087 -.0003 -.0003 -.0003 |
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OH .2439 .2439 .2439 .075 .69 .0087 .0087 .0087 -.0003 -.0003 -.0003 |
|
|
| 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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