American Mineralogist Crystal Structure Database

5 matching records for this search.

Bridgmanite
 
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M
Download am/vol91/AM91_533.pdf
American Mineralogist 91 (2006) 533-536
Reinvestigation of the MgSiO3 perovskite structure at high pressure
Locality: synthetic
Sample: P = .0001 GPa
_database_code_amcsd 0004129
4.7781 4.9305 6.8990 90 90 90 Pbnm
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
Si      .5     0    .5  .27  .0035  .0034  .0032 -.0004 -.0003 -.0001
O1   .1018 .4665   .25  .31  .0037  .0037  .0045  .0000  .0000  .0000
O2   .1962 .2013 .5526  .38  .0047  .0050  .0048  .0004  .0006  .0003
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View JMOL 3-D Structure (permalink)
 
Bridgmanite
 
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M
Download am/vol91/AM91_533.pdf
American Mineralogist 91 (2006) 533-536
Reinvestigation of the MgSiO3 perovskite structure at high pressure
Locality: synthetic
Sample: P = 7.8 GPa
_database_code_amcsd 0004130
4.722 4.880 6.825 90 90 90 Pbnm
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg   .5152 .5585   .25  .43  .0047  .0039  .0078  .0009  .0000  .0000
Si      .5     0    .5  .21  .0017  .0036  .0030  .0001  .0001 -.0007
O1   .1040 .4646   .25  .25  .0032  .0032  .0032  .0000  .0000  .0000
O2   .1926 .2012 .5531  .28  .0035  .0035  .0035  .0000  .0000  .0000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bridgmanite
 
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M
Download am/vol91/AM91_533.pdf
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
4.7148 4.8741 6.8051 90 90 90 Pbnm
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
Si      .5     0    .5  .24  .0019  .0040  .0031  .0002  .0007 -.0001
O1   .1034 .4655   .25  .29  .0035  .0047  .0028  .0017  .0000  .0000
O2   .1945 .2000 .5533  .30  .0047  .0030  .0037 -.0002 -.0002  .0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bridgmanite
 
Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M
Download am/vol91/AM91_533.pdf
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
4.701 4.870 6.782 90 90 90 Pbnm
atom     x     y     z Biso
Mg   .5196 .5590   .25  .38
Si      .5     0    .5  .27
O1   .1046 .4679   .25  .41
O2   .1933 .2003 .5536  .39
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
MgFe2O4
 
Andrault D, Bolfan-Casanova N
 
Physics and Chemistry of Minerals 28 (2001) 211-217
High-pressure phase transformations in the MgFe2O4 and Fe2O3-MgSiO3 systems
Sample refined as a CaMn2O4-type phase at P = 37.3 GPa
_database_code_amcsd 0008533
2.7392 9.200 9.283 90 90 90 Pbcm
atom    x    y    z
Mg   .731 .367  1/4
Fe   .291 .116 .084
O1   .732  1/4    0
O2   .235 .256  1/4
O3   .000 .455 .117
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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