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American Mineralogist Crystal Structure Database

2 matching records for this search.

Haidingerite
Download hom/haidingerite.pdf 
Ferraris G, Jones D W, Yerkess J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=209 
Acta Crystallographica B28 (1972) 209-214
A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite)
Sample: neutron refinement
Locality: synthetic
_database_code_amcsd 0009420
6.904 16.161 7.935 90 90 90 Pcnb
atom      x     y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca    .6250 .0471  .1829      .002570 .001445 .005718  .000022  .000228  .000000
As    .1277 .1090  .0590  .70
O1    .2190 .1996  .1438      .010175 .002699 .008497 -.000762 -.003331 -.000136
O2   -.0372 .0736  .1928      .020140 .002048 .017629 -.002913 -.001186  .000897
O3    .0483 .1320 -.1324      .016574 .005178 .006988  .000112 -.002145  .000390
O4    .3029 .0359  .0594      .005402 .000957 .007703 -.000359 -.001460 -.000273
Ow5   .6223 .1595 -.0076      .001469 .001790 .005122 -.000336  .000639  .000351
H1    .3121 .1834  .2342      .004353 .001627 .004368 -.000090 -.000776  .000253
H2    .6844 .2113  .0111      .001678 .001187 .006909  .000448 -.000639 -.000390
H3    .5806 .1522 -.1199      .009965 .001656 .007822 -.000762 -.003331  .000253


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  View JMOL 3-D Structure (permalink)

	 




	

Haidingerite





	Download hom/haidingerite.pdf
	
Ferraris G, Jones D W, Yerkess J




	Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=209
	
Acta Crystallographica B28 (1972) 209-214




	
	
A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite)




	
	
Sample: X-ray refinement




	
	
Locality: synthetic




	
	
_database_code_amcsd 0009421




	
	
6.904 16.161 7.935 90 90 90 Pcnb




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




	
	
Ca    .6263 .0476  .1841 .008392 .001838 .006551  .000090 -.000913  .000760




	
	
As    .1283 .1090  .0589 .007186 .000000 .003573  .003137  .005294  .000078




	
	
O1    .2249 .2007  .1428 .018672 .001101 .007782  .001748 -.006800 -.000624




	
	
O2   -.0413 .0744  .1909 .006871 .001656 .007068 -.001076  .001141 -.002105




	
	
O3    .0547 .1324 -.1336 .015892 .001723 .006512 -.000739  .005978  .000078




	
	
O4    .3005 .0365  .0549 .010700 .001589 .009410  .002890 -.000228 -.000702




	
	
Wat   .6239 .1603 -.0064 .014686 .001053 .006948 -.001905 -.006069 -.000546




	
	


  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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