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American Mineralogist Crystal Structure Database

2 matching records for this search.

Trona
Download hom/trona.pdf 
Choi C S, Mighell A D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=2874 
Acta Crystallographica B38 (1982) 2874-2876
Neutron diffraction study of sodium sesquicarbonate dihydrate
Note: H3 disordered model, this is the prefered model
_database_code_amcsd 0009779
20.36 3.48 10.29 90 106.48 90 C2/c
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na1       0 .74786    .25          .00096 .02080 .00268       0 .00072       0
Na2  .15059 .16359 .42612          .00126 .02810 .00275 -.00084 .00060 -.00142
C    .09303 .26524 .10317          .00057 .01770 .00118  .00029 .00024  .00032
O1   .15103 .39845 .10200          .00077 .03761 .00238 -.00059 .00050  .00136
O2   .05433 .12980 .98823          .00082 .03791 .00136 -.00083 .00027 -.00167
O3   .07258 .25364 .20797          .00085 .02522 .00156 -.00047 .00061 -.00060
O4   .21207 .66563 .35376          .00114 .03827 .00298 -.00214 .00079 -.00276
H1   .19149 .59393 .25966          .00177  .0573 .00478 -.00126 .00075 -.00092
H2   .25913 .73060 .36351          .00146  .0635 .00634 -.00151 .00082 -.00037
H3    .0048  .0121  .0006  .5 2.04


  Download AMC data (View Text File)
  Download CIF data (View Text File)
  Download diffraction data (View Text File)
  View JMOL 3-D Structure (permalink)

	 




	

Trona





	Download hom/trona.pdf
	
Choi C S, Mighell A D




	Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=2874
	
Acta Crystallographica B38 (1982) 2874-2876




	
	
Neutron diffraction study of sodium sesquicarbonate dihydrate




	
	
Note: H3 ordered model, this is least favoured




	
	
_database_code_amcsd 0009780




	
	
20.36 3.48 10.29 90 106.48 90 C2/c




	
	
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)




	
	
Na1       0 .74786    .25 .00096 .02080 .00268       0 .00072       0




	
	
Na2  .15059 .16359 .42612 .00126 .02810 .00275 -.00084 .00060 -.00142




	
	
C    .09303 .26524 .10317 .00057 .01770 .00118  .00029 .00024  .00032




	
	
O1   .15103 .39845 .10200 .00077 .03761 .00238 -.00059 .00050  .00136




	
	
O2   .05433 .12980 .98823 .00082 .03791 .00136 -.00083 .00027 -.00167




	
	
O3   .07258 .25364 .20797 .00085 .02522 .00156 -.00047 .00061 -.00060




	
	
O4   .21207 .66563 .35376 .00114 .03827 .00298 -.00214 .00079 -.00276




	
	
H1   .19149 .59393 .25966 .00177  .0573 .00478 -.00126 .00075 -.00092




	
	
H2   .25913 .73060 .36351 .00146  .0635 .00634 -.00151 .00082 -.00037




	
	
H3        0      0      0 .00185  .0518 .00419  .00104 .00075 -.00053




	
	


  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: 2

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