American Mineralogist Crystal Structure Database

3 matching records for this search.

Protoenstatite
 
Jahn S, Martonak R
 
American Mineralogist 94 (2009) 950-956
Phase behavior of protoenstatite at high pressure studied by atomistic simulations
Locality: theoretical structure
_database_code_amcsd 0004955
9.171 8.513 5.254 90 90 90 Pbcn
atom     x     y     z
O1   .1181 .0947 .0792
O2   .3758 .2519 .0697
O3   .3493 .9763 .2928
Si   .2913 .0920 .0679
Mg1      0 .0944   .75
Mg2      0 .2666   .25
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
MgSiO3
 
Jahn S, Martonak R
 
American Mineralogist 94 (2009) 950-956
Phase behavior of protoenstatite at high pressure studied by atomistic simulations
Locality: theoretical structure
Note: modelled high-pressure phase at P = 0 GPa
_database_code_amcsd 0004956
9.177 8.816 4.812 90 90 90 Pbcn
atom     x     y     z
O1   .1218 .0928 .1110
O2   .3772 .2379 .0759
O3   .3502 .0542 .4892
Si   .2930 .0927 .1732
Mg1      0 .0962   .75
Mg2      0 .2767   .25
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
MgSiO3
 
Jahn S, Martonak R
 
American Mineralogist 94 (2009) 950-956
Phase behavior of protoenstatite at high pressure studied by atomistic simulations
Locality: theoretical structure
Note: modelled high-pressure phase at P = 0 GPa
_database_code_amcsd 0004957
9.039 8.695 5.089 90 90 90 *P2_1cn
0 .25 0
atom     x     y     z
O1   .1210 .0864 .0589
O2   .3769 .2460 .1056
O3   .3578 .9609 .2760
O4   .8784 .9087 .8751
O5   .6214 .7603 .9587
O6   .6464 .9517 .5622
Si1  .2967 .0887 .0684
Si2  .7019 .9104 .8620
Mg1  .9975 .0961 .7160
Mg2  .0060 .2627 .2151
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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Total number of retrieved datasets: 3
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