American Mineralogist Crystal Structure Database

3 matching records for this search.

Protoenstatite
 
Jahn S, Martonak R
Download am/vol94/AM94_950.pdf
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
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Protoenstatite
 
Yang H, Ghose S
 
Physics and Chemistry of Minerals 22 (1995) 300-310
High temperature single crystal X-ray diffraction studies
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
Sample: T = 1360 K
_database_code_amcsd 0007923
9.306 8.886 5.360 90 90 90 Pbcn
atom     x     y     z  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0 .1003 .7500 2.260  .0075  .0073  .0164      0 -.0012      0
Mg2      0 .2621 .2500 2.776  .0087  .0092  .0211      0 -.0013      0
SiA  .2928 .0901 .0742 1.525  .0043  .0052  .0126 -.0008  .0003  .0006
O1A  .1184 .0947 .0793 2.120  .0042  .0084  .0198  .0001 -.0005 -.0015
O2A  .3775 .2454 .0672 2.837  .0098  .0074  .0242 -.0047 -.0008  .0001
O3A  .3489 .9847 .3071 3.119  .0059  .0157  .0205  .0001  .0001  .0079
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Protoenstatite
 
Yang H, Ghose S
 
Physics and Chemistry of Minerals 22 (1995) 300-310
High temperature single crystal X-ray diffraction studies
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
Sample: T = 1400 K
_database_code_amcsd 0007924
9.315 8.899 5.365 90 90 90 Pbcn
atom     x     y     z  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0 .0999 .7500 2.735  .0106  .0071  .0196      0 -.0036      0
Mg2      0 .2612 .2500 3.343  .0131  .0086  .0240      0 -.0006      0
SiA  .2931 .0898 .0741 1.793  .0061  .0052  .0141 -.0009 -.0003  .0006
O1A  .1189 .0937 .0787 2.296  .0060  .0090  .0170 -.0011 -.0006 -.0017
O2A  .3761 .2458 .0661 3.311  .0125  .0073  .0285 -.0065  .0021 -.0023
O3A  .3488 .9852 .3074 3.217  .0087  .0140  .0191  .0006 -.0016  .0076
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: 3
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