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American Mineralogist Crystal Structure Database

2 matching records for this search.

Calciotantite
Download hom/calciotantite.pdf 
Cooper M A, Hawthorne F C, Cerny P
Download cm/vol37/CM37_1289.pdf 
The Canadian Mineralogist 37 (1999) 1289-1294
Ta-Nb order in the crystal structure of niobium-rich calciotantite
_database_code_amcsd 0005632
6.2261 6.2261 12.280 90 90 120 P6_322
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1  .35938 .35938   1/2 .698 .0076 .0090  .0090  .0070  .0063  -.0001  .0001
Nb1  .35938 .35938   1/2 .302 .0076 .0090  .0090  .0070  .0063  -.0001  .0001
Ta2     1/3    2/3   1/4 .727 .0082 .0091  .0091  .0062  .0046       0      0
Nb2     1/3    2/3   1/4 .273 .0082 .0091  .0091  .0062  .0046       0      0
Ca      2/3    1/3   1/4      .0065 .0069  .0069  .0058  .0035       0      0
O1    .3757  .4304 .3440      .0097 .0099  .0121  .0075  .0057   .0010  .0025
O2    .7532  .7532   1/2      .0131 .0154  .0154  .0142  .0120   .0006 -.0006
O3      1/3    2/3 .5339      .0092 .0075  .0075  .0127  .0037       0      0


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Calciotantite





	Download hom/calciotantite.pdf
	
Yamnova N A, Pushcharovsky D Yu, Voloshin A V




	 
	
Soviet Physics Crystallography 33 (1988) 498-499




	
	
Identity of ungursaite with calciotantite and synthetic CaTa4O11




	
	
Locality: Kola Peninsula, Russia




	
	
Note: displacement parameters taken from ICSD




	
	
_database_code_amcsd 0015587




	
	
6.245 6.245 12.323 90 90 120 P6_322




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




	
	
Ca      1/3   2/3   .75  .94  .35 .002735 .002735 .000659 .001368        0        0




	
	
Na      1/3   2/3   .75  .06  .35 .002735 .002735 .000659 .001368        0        0




	
	
Ta1  .35897     0     0      .186 .002222 .000598 .000313 .000342 -.000188 -.000075




	
	
Ta2     1/3   2/3   .25  .86  .22 .001880 .001880 .000362 .000940        0        0




	
	
Nb2     1/3   2/3   .25  .13  .22 .001880 .001880 .000362 .000940        0        0




	
	
O1     .375  .943 .1554 .995   .4 .005128 .004274 .000329 .003419  .000750  .001125




	
	
O2     .757     0     0        .1 .001709 .000000 .000329 .000000  .003376  .001500




	
	
O3      1/3   2/3 .9663        .1 .000855 .000855 .000000 .000513        0        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)

	 

	

					
				
				
				
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	Total number of retrieved datasets: 2

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