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American Mineralogist Crystal Structure Database

2 matching records for this search.

Polyhalite
Download hom/polyhalite.pdf 
Bindi L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=135 
Acta Crystallographica E61 (2005) i135-i136
Reinvestigation of the crystal structure of polyhalite, K2Ca2Mg(SO4)4*2H2O
_database_code_amcsd 0010450
6.975 6.984 8.899 104.01 101.19 114.10 P-1
atom       x      y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K     .52448 .78828  .57178 .0229  .0199  .0244  .0227  .0100  .0070  .0067
Ca    .12539 .36459 -.25711 .0146  .0132  .0144  .0162  .0067  .0049  .0052
Mg         0      0       0 .0153  .0140  .0152  .0138  .0065  .0030  .0028
S1    .31293 .56434  .14152 .0125  .0121  .0127  .0125  .0065  .0044  .0028
S2   -.05661 .18567  .35769 .0131  .0144  .0125  .0124  .0073  .0045  .0030
O1    -.0370  .0082   .2369 .0174  .0246  .0158  .0138  .0126  .0066  .0031
O2     .1284  .3354   .0387 .0220  .0187  .0153  .0239  .0065  .0019  .0007
O3     .4986  .5540   .2415 .0202  .0186  .0232  .0172  .0114  .0033  .0038
O4    -.2344  .3100   .7517 .0189  .0172  .0203  .0156  .0086  .0057  .0010
O5     .3782  .6721   .0222 .0216  .0253  .0211  .0200  .0115  .0094  .0077
O6    -.1728  .2786   .2687 .0188  .0213  .0190  .0186  .0129  .0045  .0065
O7    -.1778  .0844   .4601 .0211  .0229  .0223  .0219  .0107  .0118  .0108
O8     .1677  .3610   .4680 .0223  .0168  .0198  .0191  .0052  .0003 -.0002
Wat9   .3107  .0432   .0829 .0152  .0132  .0135  .0244  .0083  .0103  .0090


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  View JMOL 3-D Structure (permalink)

	 




	

Polyhalite





	Download hom/polyhalite.pdf
	
Schlatti M, Sahl K, Zemann A, Zemann J




	 
	
Tschermaks Mineralogische und Petrographische Mitteilungen 14 (1970) 75-86




	
	
Die kristallstruktur des polyhalits, K2Ca2Mg(SO4)4(H2O)2




	
	
_database_code_amcsd 0015636




	
	
11.69 16.330 7.60 91.6 90.0 91.9 F-1




	
	
atom      x      y      z Biso




	
	
K    .13189 .28615 .63004 1.30




	
	
Ca   .11914 .37120 .12619  .80




	
	
Mg        0      0      0  .75




	
	
S1   .12582 .07054 .63225  .65




	
	
S2   .12061 .17896 .11415  .68




	
	
O1   .02782 .12014 .59472 1.50




	
	
O2   .22760 .12428 .66306 1.04




	
	
O3   .10304 .01950 .78843 1.13




	
	
O4   .14787 .01101 .48555 1.35




	
	
O5   .13167 .22955 .27763 1.35




	
	
O6   .09617 .23414 .96862 1.34




	
	
O7   .02245 .11814 .13130 1.23




	
	
O8   .22550 .13457 .08081 1.13




	
	
Wat9 .13515 .45748 .63492 1.06




	
	


  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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