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American Mineralogist Crystal Structure Database

2 matching records for this search.

Wallisite
Download hom/wallisite.pdf 
Takeuchi Y, Ohmasa M
Download zk/vol127/ZK127_349.pdf 
Zeitschrift fur Kristallographie 127 (1968) 349-365
The crystal structure of wallisite, PbTlCuAs2S5,
the Cu analogue of hatchite PbTlAgAs2S5
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0010669
9.215 8.524 7.980 55.983 62.500 69.400 P-1
atom     x     y     z occ Biso
Pb1  .4034 .7518 .3053  .5 2.61
Tl1  .4034 .7518 .3053  .5 2.61
Pb2  .1248 .3088 .4189  .5 4.15
Tl2  .1248 .3088 .4189  .5 4.15
Cu   .0846 .1168 .0508     3.35
As1  .1910 .5436 .8876     2.25
As2  .3632 .9058 .7645     2.34
S1   .4538 .6253 .7363     1.68
S2   .2406 .3672 .7337     2.09
S3   .4206 .1260 .1485     2.26
S4   .0745 .8267 .6736     2.05
S5   .1686 .8057 .0965     1.70


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

	 




	

Wallisite





	Download hom/wallisite.pdf
	
Boiocchi M, Callegari A




	 
	
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 396-406




	
	
Crystal structure refinement of a wallisite-hatchite solid solution




	
	
Locality: Binnatal, Switzerland




	
	
_database_code_amcsd 0018394




	
	
9.0707 7.7868 8.0386 65.828 65.047 74.220 P-1




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




	
	
Pb1  .5954 .2473 .4618     .0227  .0286  .0179  .0203 -.0067 -.0080 -.0034




	
	
Tl1  .1275 .3069 .1450     .0426  .0411  .0590  .0329 -.0115 -.0161 -.0137




	
	
Ag1  .0863 .1142 .7580 .35 .0403  .0499  .0257  .0491 -.0076 -.0342  .0032




	
	
Cu1  .0863 .1142 .7580 .65 .0403  .0499  .0257  .0491 -.0076 -.0342  .0032




	
	
As1  .1906 .5446 .3801     .0190  .0228  .0177  .0185 -.0067 -.0088 -.0039




	
	
As2  .3638 .9008 .9628     .0197  .0248  .0174  .0173 -.0051 -.0087 -.0034




	
	
S1   .5493 .3703 .8208     .0228  .0231  .0225  .0167 -.0047 -.0064 -.0003




	
	
S2   .2418 .3693 .6564     .0243  .0278  .0275  .0165 -.0079 -.0089 -.0025




	
	
S3   .4152 .1292 .2995     .0205  .0241  .0181  .0171 -.0066 -.0072 -.0013




	
	
S4   .0818 .8219 .4280     .0271  .0263  .0219  .0300 -.0049 -.0046 -.0101




	
	
S5   .1754 .8013 .9214     .0285  .0238  .0388  .0253 -.0111 -.0066 -.0107




	
	


  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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