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American Mineralogist Crystal Structure Database

2 matching records for this search.

Nesquehonite
Download hom/nesquehonite.pdf 
Stephan G W, MacGillavry C H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=1031 
Acta Crystallographica B28 (1972) 1031-1033
The crystal structure of nesquehonite, MgCO3*3H2O
Locality: synthetic
_database_code_amcsd 0009432
7.7053 5.3673 12.1212 90 90.451 90 P2_1/n
atom      x      y      z B(1,1) B(2,2) B(3,3)   B(1,2)  B(1,3)   B(2,3)
Mg   .25174 .08872 .15050 .00493 .01310 .00237  -.00023  .00075 -.000235
C    .24393 .13607 .40940 .00432 .02413 .00218 -.000005 .000075  -.00036
O1   .26062 .40719 .06257 .01240 .00838 .00454  .001465 .001365  -.00022
O2   .24408 .20582 .30895 .00747 .01108 .00322 -.000395  .00177 -.000935
O3   .25134 .81598 .02076 .00831 .01911 .00251 -.000485 .000305 -.000375
Wat1 .52473 .09140 .15257 .00471 .03222 .00411 -.001145  .00152  -.00049
Wat2 .98257 .09667 .14691 .00593 .04240 .00318  .001285 .000225  .000025
Wat3 .27989 .34792 .83847 .01428 .02616 .00373   .00078  .00164   .00061


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Nesquehonite





	Download hom/nesquehonite.pdf
	
Giester G, Lengauer C L, Rieck B




	 
	
Mineralogy and Petrology 70 (2000) 153-163




	
	
The crystal structure of nesquehonite, MgCO3*3H2O, from Lavrion, Greece




	
	
Locality: Sounion, Lavrion mining district, Greece




	
	
_database_code_amcsd 0014644




	
	
7.701 5.365 12.126 90 90.41 90 P2_1/n




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




	
	
Mg   .25174 .08904 .14970 .01641  .0232  .0121  .0140 -.00004  .0004 -.00021




	
	
C     .2440 .13800 .40863  .0169  .0215  .0141  .0152   .0009  .0004  -.0006




	
	
O1   .52293  .0924 .15188  .0280  .0245  .0289  .0308   -.007  .0046   .0054




	
	
O2   .98342  .0948 .14742  .0335  .0233  .0535  .0237   .0056 -.0021   .0001




	
	
O3    .2598 .41104 .06205  .0263  .0476  .0125  .0188   .0012  .0005  -.0007




	
	
O4   .24401 .20669 .30691  .0213  .0351  .0148  .0139  -.0008  .0012  -.0005




	
	
O5   .25136 .81644 .02004  .0205  .0327  .0146  .0141   .0011  .0011   .0020




	
	
O6    .2803  .3498 .83840  .0382  .0508  .0393  .0246   .0003  .0024  -.0020




	
	
H1     .582   .153   .100   .043




	
	
H2     .575  -.033   .158   .067




	
	
H3     .920   .155   .093   .047




	
	
H4     .925   .114   .206   .039




	
	
H5     .177   .313   .829   .040




	
	
H6     .273   .378   .904   .063




	
	


  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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