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American Mineralogist Crystal Structure Database

1 matching records for this search.

Choloalite
Download hom/choloalite.pdf 
Lam A E, Groat L A, Grice J D, Ercit T S
Download cm/vol37/CM37_721.pdf 
The Canadian Mineralogist 37 (1999) 721-729
The crystal structure of choloalite
_database_code_amcsd 0005603
12.520 12.520 12.520 90 90 90 P4_132
atom     x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Te   .0812  .4406  .3401     .0224  .0204  .0265  .0201  .0034  .0047 -.0005
Cu    .125  .2321 -.5179 .93 .0197  .0193  .0199  .0199 -.0011  .0011  .0091
Sb    .125  .2321 -.5179 .07 .0197  .0193  .0199  .0199 -.0011  .0011  .0091
Pb1  .1927  .1927  .1927 .90 .0378  .0378  .0378  .0378 -.0073 -.0073 -.0073
Ca1  .1927  .1927  .1927 .10 .0378  .0378  .0378  .0378 -.0073 -.0073 -.0073
Pb2    3/8    3/8    3/8 .90 .0265  .0265  .0265  .0265 -.0076 -.0076 -.0076
Ca2    3/8    3/8    3/8 .10 .0265  .0265  .0265  .0265 -.0076 -.0076 -.0076
O1   .0261  .1205  .2682     .0413
O2   .1759  .3274  .3738     .0232
O3   .1857  .5200  .2613     .0248
Cl     7/8    7/8    7/8 .92 .0548  .0548  .0548  .0548  .0024  .0024  .0024


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

	 

	

					
				
				
				
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	Total number of retrieved datasets: 1

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