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MgSiO3 |
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Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
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American Mineralogist 90 (2005) 1301-1307 |
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Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 0.0001 GPa |
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_database_code_amcsd 0003868 |
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4.729 4.729 13.559 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .36029 .51 |
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Si 0 0 .15773 .30 |
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O .3230 .0366 .23956 .39 |
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| Download AMC data (View Text File)
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MgSiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 2.5 GPa |
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_database_code_amcsd 0003869 |
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4.707 4.707 13.474 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3592 .65 |
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Si 0 0 .1574 .49 |
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O .3232 .0365 .2401 .49 |
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| Download AMC data (View Text File)
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| |
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MgSiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 5.7 GPa |
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_database_code_amcsd 0003870 |
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4.697 4.697 13.408 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3582 .63 |
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Si 0 0 .1575 .39 |
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O .3225 .0365 .2403 .45 |
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|
| Download AMC data (View Text File)
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|
| |
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MgSiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 7.8 GPa |
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_database_code_amcsd 0003871 |
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4.688 4.688 13.354 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3577 .41 |
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Si 0 0 .1572 .28 |
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O .3261 .0384 .2408 .47 |
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|
| Download AMC data (View Text File)
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| |
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MgGeO3 |
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Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
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American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 0.0001 GPa |
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_database_code_amcsd 0003872 |
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4.9375 4.9375 13.743 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3590 .56 |
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Ge 0 0 .15363 .36 |
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O .3170 .0273 .2436 .53 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
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American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 1.8 GPa |
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_database_code_amcsd 0003873 |
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4.923 4.923 13.687 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3592 .42 |
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Ge 0 0 .1534 .26 |
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O .3169 .0268 .2439 .35 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 4.7 GPa |
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_database_code_amcsd 0003874 |
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4.907 4.907 13.605 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3589 .35 |
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Ge 0 0 .1536 .18 |
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O .3164 .0261 .2440 .24 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 8.1 GPa |
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_database_code_amcsd 0003875 |
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4.880 4.880 13.502 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3587 .37 |
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Ge 0 0 .1535 .19 |
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O .3183 .0262 .2445 .19 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 9.3 GPa |
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_database_code_amcsd 0003876 |
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4.871 4.871 13.458 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3581 .33 |
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Ge 0 0 .1528 .29 |
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O .3157 .0244 .2447 .24 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0003877 |
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5.0540 5.0540 13.898 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .35563 .54 |
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Ti 0 0 .14496 .41 |
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O .3159 .0218 .24641 .51 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 3.1 GPa |
|
_database_code_amcsd 0003878 |
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5.028 5.028 13.79 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3560 .58 |
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Ti 0 0 .1447 .31 |
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O .3167 .0222 .2473 .52 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 5.8 GPa |
|
_database_code_amcsd 0003879 |
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5.006 5.006 13.689 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3559 .48 |
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Ti 0 0 .1453 .25 |
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O .3152 .0222 .2474 .40 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 8.1 GPa |
|
_database_code_amcsd 0003880 |
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4.992 4.992 13.609 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3560 .50 |
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Ti 0 0 .1446 .02 |
|
O .3143 .0199 .2473 .45 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
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American Mineralogist 91 (2006) 533-536 |
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Reinvestigation of the MgSiO3 perovskite structure at high pressure |
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Locality: synthetic |
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Sample: P = .0001 GPa |
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_database_code_amcsd 0004129 |
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4.7781 4.9305 6.8990 90 90 90 Pbnm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .5141 .5560 .25 .47 .0058 .0052 .0069 .0006 .0000 .0000 |
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Si .5 0 .5 .27 .0035 .0034 .0032 -.0004 -.0003 -.0001 |
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O1 .1018 .4665 .25 .31 .0037 .0037 .0045 .0000 .0000 .0000 |
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O2 .1962 .2013 .5526 .38 .0047 .0050 .0048 .0004 .0006 .0003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
|
American Mineralogist 91 (2006) 533-536 |
|
Reinvestigation of the MgSiO3 perovskite structure at high pressure |
|
Locality: synthetic |
|
Sample: P = 7.8 GPa |
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_database_code_amcsd 0004130 |
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4.722 4.880 6.825 90 90 90 Pbnm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .5152 .5585 .25 .43 .0047 .0039 .0078 .0009 .0000 .0000 |
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Si .5 0 .5 .21 .0017 .0036 .0030 .0001 .0001 -.0007 |
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O1 .1040 .4646 .25 .25 .0032 .0032 .0032 .0000 .0000 .0000 |
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O2 .1926 .2012 .5531 .28 .0035 .0035 .0035 .0000 .0000 .0000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
|
American Mineralogist 91 (2006) 533-536 |
|
Reinvestigation of the MgSiO3 perovskite structure at high pressure |
|
Locality: synthetic |
|
Sample: P = 10.0 GPa |
|
_database_code_amcsd 0004131 |
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4.7148 4.8741 6.8051 90 90 90 Pbnm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg .5153 .5582 .25 .36 .0033 .0041 .0063 .0005 .0000 .0000 |
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Si .5 0 .5 .24 .0019 .0040 .0031 .0002 .0007 -.0001 |
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O1 .1034 .4655 .25 .29 .0035 .0047 .0028 .0017 .0000 .0000 |
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O2 .1945 .2000 .5533 .30 .0047 .0030 .0037 -.0002 -.0002 .0002 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
|
American Mineralogist 91 (2006) 533-536 |
|
Reinvestigation of the MgSiO3 perovskite structure at high pressure |
|
Locality: synthetic |
|
Sample: P = 15.0 GPa |
|
_database_code_amcsd 0004132 |
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4.701 4.870 6.782 90 90 90 Pbnm |
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atom x y z Biso |
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Mg .5196 .5590 .25 .38 |
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Si .5 0 .5 .27 |
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O1 .1046 .4679 .25 .41 |
|
O2 .1933 .2003 .5536 .39 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Sugahara M, Yoshiasa A, Yoneda A, Hashimoto T, Sakai S, Okube M, |
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Nakatsuka A, Ohtaka O |
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American Mineralogist 93 (2008) 1148-1152 |
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Single-crystal X-ray diffraction study of CaIrO3 |
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Note: post-perovskite structure |
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Locality: Synthetic |
|
_database_code_amcsd 0004613 |
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3.1472 9.8655 7.3018 90 90 90 Cmcm |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .7492 .25 .40 .0027 .0080 .0045 0 0 0 |
|
Ir 0 0 0 .32 .0026 .00624 .0033 0 0 .0040 |
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O1 0 .0779 .25 .70 .0115 .0042 .0108 0 0 0 |
|
O2 0 .3658 .4452 .79 .0111 .0076 .0113 0 0 -.0029 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
LiMnVO4 |
| |
Sugahara M, Yoshiasa A, Yamanaka T, Takei H |
 |
Acta Crystallographica E59 (2003) i161-i163 |
|
LiMnVO4 |
|
_database_code_amcsd 0010414 |
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5.7640 8.7418 6.3629 90 90 90 Cmcm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li 0 .6637 .25 .0241 .033 .0183 .021 0 0 0 |
|
Mn 0 0 0 .00856 .00905 .00916 .00747 0 0 .00023 |
|
V 0 .35663 .25 .00709 .00621 .00740 .00766 0 0 0 |
|
O1 .24050 .47975 .2500 .01086 .0097 .0122 .0107 -.0030 0 0 |
|
O2 0 .24600 .03228 .01164 .0133 .0109 .0107 0 0 -.0023 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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