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.

Baricite
Download hom/baricite.pdf 
Takagi S, Mathew M, Brown W E
Download am/vol71/AM71_1229.pdf 
American Mineralogist 71 (1986) 1229-1233
Crystal structures of bobierrite and synthetic Mg3(PO4)2.8H2O
_database_code_amcsd 0001049
10.034 13.407 4.657 90 105.09 90 C2/m
atom      x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0      0     0  .0072  .0101  .0066      0  .0012      0
Mg2       0 .39054     0  .0101  .0092  .0084      0  .0030      0
P    .31452      0 .3843  .0078  .0104  .0071      0  .0026      0
O1    .1575      0 .3709  .0090  .0173  .0095      0  .0031      0
O2    .3947      0 .7144  .0113  .0129  .0086      0  .0026      0
O3    .3455  .0956 .2303  .0124  .0125  .0111  .0005  .0041  .0008
OW1   .4013  .3866 .1916  .0140  .0196  .0135  .0007  .0037 -.0024
OW2   .1010  .2787 .2802  .0250  .0167  .0147  .0020  .0042  .0011


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

	 




	

Baricite





	Download hom/baricite.pdf
	
Yakubovich O V, Massa W, Liferovich R P, McCammon C A




	Download cm/vol39/CM39_1317.pdf
	
The Canadian Mineralogist 39 (2001) 1317-1324




	
	
The crystal structure of baricite, (Mg1.70Fe1.30)(PO4)2.8H2O




	
	
_database_code_amcsd 0005742




	
	
10.085 13.390 4.6713 90 104.96 90 C2/m




	
	
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)




	
	
Fe(1)      .0     .0     .5  .63 .0111  .0081  .0138  .0103     .0  .0005     .0




	
	
Mg(1)      .0     .0     .5  .37 .0111  .0081  .0138  .0103     .0  .0005     .0




	
	
Fe(2)      .5 .11050     .5 .335 .0109  .0094  .0122  .0105     .0  .0018     .0




	
	
Mg(2)      .5 .11050     .5 .665 .0109  .0094  .0122  .0105     .0  .0018     .0




	
	
P      .68507     .0 .11955      .0107  .0084  .0130  .0101     .0  .0014     .0




	
	
O(1)   -.3946     .0 -.2084      .0133  .0107  .0158  .0125     .0  .0012     .0




	
	
O(2)   -.1582     .0  .1307      .0137  .0097  .0177  .0131     .0  .0020     .0




	
	
O(3)  -.65471 .09621 -.2743      .0135  .0126  .0141  .0132  .0008  .0025  .0012




	
	
OW(4)  .10049 .11636  .3037      .0158  .0127  .0188  .0152  .0001  .0021 -.0003




	
	
OW(5) -.60123 .22338 -.7828      .0184  .0211  .0171  .0170  .0008  .0049  .0003




	
	
H(1)     .134   .094   .152       .022




	
	
H(2)    -.554   .280  -.794       .030




	
	
H(3)     .180   .122   .439       .031




	
	
H(4)    -.623   .203  -.958       .034




	
	


  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