Important Update News

The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

We are grateful to NASA for the funding of this effort.
American Mineralogist Crystal Structure Database

2 matching records for this search.

Tavorite
Download hom/tavorite.pdf 
Marx N, Croguennec L, Carlier D, Wattiaux A, Le Cras F, Suard E, Delmas C
  
Dalton Transactions 39 (2010) 5108-5116
The structure of tavorite LiFePO4(OH) from diffraction and GGA + U
studies and its preliminary electrochemical characterization
Locality: synthetic
_database_code_amcsd 0020848
5.3528 7.2896 5.1187 109.359 97.733 106.359 P-1
atom    x    y    z Biso
Li   .610 .187 .255  1.4
Fe1     0   .5    0   .5
Fe2     0    0    0  1.0
P    .638 .769 .326   .5
O1   .660 .879 .112   .7
O2   .338 .664 .313  1.0
O3   .950 .278 .163   .7
O4   .789 .614 .268  1.0
O5   .241 .066 .367   .9
H    .069 .342 .355  3.0


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

	 




	

Tavorite





	Download hom/tavorite.pdf
	
Yakubovich O V, Urusov V S




	 
	
Geochemistry International 35 (1997) 630-638




	
	
The structure and electron density of Fe2+ -bearing tavorite in relation to the




	
	
genetic crystal chemistry of secondary phosphates of lithium pegmatites




	
	
Locality: synthetic




	
	
_database_code_amcsd 0012660




	
	
5.347 7.284 5.132 109.15 97.90 106.52 P-1




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




	
	
Li1   .6071   .182   .254 .385  1.4 .00915 .01868 .00910 .00704 .00968  .00331




	
	
Li2    .631   .295   .278 .115  1.2




	
	
Fe1       0     .5      0  1/3  .45 .00366 .00259 .00602 .00109 .00182  .00066




	
	
Fe2       0      0      0  1/3  .40 .00417 .00253 .00409 .00101 .00172  .00058




	
	
Fe3       0     .5     .5  1/3   .3




	
	
P    .63897 .76670 .32444   .5  .41 .00376 .00319 .00386 .00117 .00182  .00091




	
	
O1    .6599  .8780  .1142   .5  .69 .00651 .00596 .00659 .00172 .00537  .00182




	
	
O2    .3413  .6600  .3107   .5  .71 .00396 .00536 .00784 .00047 .00279  .00091




	
	
O3    .9478  .2743  .1521   .5  .72 .00783 .00343 .01046 .00227 .00387  .00231




	
	
O4    .7879  .6122  .2662   .5  .85 .00966 .00632 .01046 .00548 .00505  .00372




	
	
O5    .2424  .0711  .3675   .5  .73 .00773 .00512 .00443 .00195 .00107 -.00024




	
	
H       .04    .27    .32   .5  2.1




	
	


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

	 

	

					
				
				
				
				Download in:
				
				
				
				
				
                

                
				
				

                    Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking 
                

                

                    Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking 
                

	Total number of retrieved datasets: 2

View in amc, download in amc









Return to AMCSD Home Page