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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)
  Download CIF data (View Text File)
  Download diffraction data (View Text File)
  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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