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American Mineralogist Crystal Structure Database

1 matching records for this search.

Weloganite
Download hom/weloganite.pdf 
Grice J D, Perrault G
Download cm/vol13/CM13_209.pdf 
The Canadian Mineralogist 13 (1975) 209-216
The crystal structure of triclinic weloganite
Note: y-coordinate of Sr2 changed.
Locality: St. Michel, Montreal Island, Quebec, Canada
_database_code_amcsd 0005116
8.966 8.980 6.730 102.72 116.65 60.66 P1
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1  .4679 .6565 .3769 .93       .0100  .0084  .0086 -.0038  .0024  .0009
Ca1  .4679 .6565 .3769 .07       .0100  .0084  .0086 -.0038  .0024  .0009
Sr2  .7769 .0025 .3661 .93       .0102  .0096  .0093 -.0049  .0042 -.0010
Ca2  .7769 .0025 .3661 .07       .0102  .0096  .0093 -.0049  .0042 -.0010
Sr3  .1224 .3442 .3763 .93       .0115  .0103  .0108 -.0052  .0041 -.0008
Ca3  .1224 .3442 .3763 .07       .0115  .0103  .0108 -.0052  .0041 -.0008
Zr       0     0     0           .0064  .0052  .0058 -.0028  .0022 -.0002
Na1   .321  .336 -.014            .016   .022   .013  -.009   .001   .000
Na2   .661  .670 -.013            .015   .015   .010  -.009   .006  -.004
C1    .409  .000  .252     .009
C2    .081  .675  .245     .011
C3    .749  .325  .236     .006
C4    .833  .308  .801     .013
C5    .236  .799  .795     .007
C6    .722  .900  .790     .012
O1    .260 -.003  .248            .008   .019   .011  -.007   .003  -.004
O2    .415  .140  .285            .013   .010   .021  -.010   .007  -.003
O3    .538 -.140  .219            .009   .024   .016  -.007   .010  -.002
O4   -.060  .680  .253            .013   .017   .023  -.009   .004   .002
O5    .079  .824  .244            .008   .007   .008  -.004   .002  -.003
O6    .226  .535  .250            .014   .008   .018  -.005   .007  -.003
O7    .616  .320  .247            .014   .011   .018  -.008   .015  -.011
O8    .749  .464  .224            .018   .012   .016  -.007   .009  -.005
O9    .905  .179  .251            .016   .006   .009  -.002   .010   .000
O10   .763  .199  .735            .015   .008   .008  -.002  -.001  -.002
O11   .745  .456  .714            .018   .005   .017  -.002   .008   .004
O12   .999  .252  .960            .014   .016   .009  -.005   .000   .005
O13   .102  .952  .731            .011   .013   .012  -.006   .003   .001
O14   .358  .711  .713            .016   .015   .015  -.008   .005   .003
O15   .235  .741  .957            .011   .010   .004  -.004   .005   .000
O16   .608  .839  .703            .019   .023   .015  -.017   .006  -.005
O17   .857  .859  .727            .011   .012   .014  -.008   .004   .001
O18   .721  .008  .951            .018   .020   .004  -.015   .006  -.006
Wat1  .272  .132  .711            .018   .016   .020  -.010   .009   .000
Wat2  .022  .507  .700            .010   .013   .016  -.003   .006  -.001
Wat3  .400  .381  .712            .013   .012   .022  -.006   .008  -.005


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

	 

	

					
				
				
				
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	Total number of retrieved datasets: 1

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