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American Mineralogist Crystal Structure Database

2 matching records for this search.

Godlevskite
Download hom/godlevskite.pdf 
Merlino S, Makovicky E
  
European Journal of Mineralogy 21 (2009) 863-869
OD (order-disorder) character of the crystal structure of godlevskite Ni9S8
Locality: modelled structure, not experimental
_database_code_amcsd 0007326
9.38 9.38 22.44 90 90 90 I-42d
atom      x      y      z occ
Ni1       0  -.217      0
Ni2       0     .5      0
Ni4     .25 -.2719   .125  .5
Ni5      .5     .5  .1318
Ni7   .1263  .1215  .0921
Ni8   .3743 -.3737 -.0439
S1    .1338 -.3645 -.0648
S1A  -.1338 -.3645  .0648
S3    .1179 -.1198  .0648
S4    .3802 -.3859  .0648


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Godlevskite





	Download hom/godlevskite.pdf
	
Fleet M E




	Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=2255
	
Acta Crystallographica C43 (1987) 2255-2257




	
	
Structure of godlevskite, Ni9S8




	
	
_database_code_amcsd 0010055




	
	
9.3359 11.2185 9.4300 90 90 90 C222




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




	
	
Nil  .22010      0      0 .967  .52 .00172 .00078 .00155       0       0  .00022




	
	
Fel  .22010      0      0 .033  .52 .00172 .00078 .00155       0       0  .00022




	
	
Ni2       0     .5      0 .967  .44 .00155 .00095 .00111       0       0       0




	
	
Fe2       0     .5      0 .033  .44 .00155 .00095 .00111       0       0       0




	
	
Ni3       0      0 .21521 .967  .54 .00162 .00094 .00162  .00028       0       0




	
	
Fe3       0      0 .21521 .033  .54 .00162 .00094 .00162  .00028       0       0




	
	
Ni4     .25    .25 .27187 .967  .51 .00146 .00089 .00161 -.00003       0       0




	
	
Fe4     .25    .25 .27187 .033  .51 .00146 .00089 .00161 -.00003       0       0




	
	
Ni5       0 .23652     .5 .967  .76 .00314 .00067 .00235       0 -.00111       0




	
	
Fe5       0 .23652     .5 .033  .76 .00314 .00067 .00235       0 -.00111       0




	
	
Ni6       0      0     .5 .967  .74 .00217 .00167 .00174       0       0       0




	
	
Ni6       0      0     .5 .033  .74 .00217 .00167 .00174       0       0       0




	
	
Ni7  .37369 .68414 .12145 .967  .48 .00142 .00095 .00133  .00008 -.00001 -.00005




	
	
Fe7  .37369 .68414 .12145 .033  .48 .00142 .00095 .00133  .00008 -.00001 -.00005




	
	
Ni8  .12569 .58779 .37368 .967  .51 .00131 .00128 .00120  .00009  .00006 -.00017




	
	
Fe8  .12569 .58779 .37368 .033  .51 .00131 .00128 .00120  .00009  .00006 -.00017




	
	
S1   .13268 .61610 .13483       .51 .00142 .00112 .00129 -.00001  .00004 -.00005




	
	
S2   .36724 .61693 .36158       .53 .00145 .00139 .00110  .00007 -.00027 -.00021




	
	
S3   .38213 .34835 .11982       .56 .00139 .00129 .00147 -.00031 -.00019  .00002




	
	
S4   .11977 .38020 .38590       .60 .00181 .00134 .00141  .00023  .00011 -.00016




	
	


  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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