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American Mineralogist Crystal Structure Database

2 matching records for this search.

Bariopharmacosiderite
  
Hager S L, Leverett P, Williams P A, Mills S J,
Hibbs D E, Raudsepp M, Kampf A R, Birch W D
  
The Canadian Mineralogist 48 (2010) 1477-1485
The single-crystal X-ray structures of bariopharmacosiderite-C,
bariopharmacosiderite-Q and natropharmacosiderite
Note: sample Bariopharmacosiderite-Q
Locality: Sunny Corner mine, Sunny Corner, New South Wales, Australia
_database_code_amcsd 0020841
7.947 7.947 8.049 90 90 90 P-42m
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       .5    .5     0  .50 .0330   .033   .033   .033      0      0      0
Fe    .1422 .1422 .1437      .0078  .0064  .0064  .0110 -.0004 -.0004 -.0004
Oh2   .8858 .8858 .8868       .011   .014   .014   .007  -.001  -.001  -.001
As1       0     0    .5      .0112  .0110  .0110   .012      0      0      0
As2      .5     0     0      .0148  .0077   .019  .0175      0      0      0
O1A   .1248 .1248 .3830       .016   .016   .016   .015  -.002   .000   .000
O1B   .1252 .3855 .1214       .012   .014   .004   .016  -.002  -.004   .002
H      .828  .828  .821       .020
Wat1A  .333  .333  .740  .50  .017
Wat1B  .326  .255  .673 .145  .015
Wat2A    .5     0    .5  .70  .020
Wat2B  .160    .5    .5  .30  .022
Wat2C    .5    .5  .129  .20  .016


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

	 




	

Bariopharmacosiderite





	 
	
Hager S L, Leverett P, Williams P A, Mills S J,




	
	
Hibbs D E, Raudsepp M, Kampf A R, Birch W D




	 
	
The Canadian Mineralogist 48 (2010) 1477-1485




	
	
The single-crystal X-ray structures of bariopharmacosiderite-C,




	
	
bariopharmacosiderite-Q and natropharmacosiderite




	
	
Note: sample Bariopharmacosiderite-C




	
	
Locality: Robinson's Reef, Clunes, Victoria, Australia




	
	
_database_code_amcsd 0020842




	
	
7.942 7.942 7.942 90 90 90 P-43m




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




	
	
BaBa      0    .5    .5 .156  .016




	
	
KBa       0    .5    .5 .013  .016




	
	
NaBa      0    .5    .5 .007  .016




	
	
FeFe  .1431 .1431 .1431  .99  .016   .016   .016   .016 -.0018 -.0018 -.0018




	
	
AlFe  .1431 .1431 .1431  .01  .016   .016   .016   .016 -.0018 -.0018 -.0018




	
	
Oh2    .888  .888  .888       .010   .010   .010   .010   .000   .000   .000




	
	
AsAs     .5     0     0  .72  .019   .008   .025   .025      0      0      0




	
	
PAs      .5     0     0  .28  .019   .008   .025   .025      0      0      0




	
	
O1     .124  .387  .124       .031   .029   .036   .036   .003   .003   .005




	
	
H      .831  .831  .831       .014




	
	
Wat1   .688  .688  .688  .18   .03




	
	
Wat2   .198    .5    .5   .3   .03




	
	


  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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