American Mineralogist Crystal Structure Database

2 matching records for this search.

Aragonite
Download hom/aragonite.pdf
de Villiers J P R
Download am/vol56/AM56_758.pdf
American Mineralogist 56 (1971) 758-767
Crystal structures of aragonite, strontianite, and witherite
4.9614 7.9671 5.7404 90 90 90 Pmcn
atom     x     y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca     .25 .4150  .7597  .0062  .0021  .0063      0      0  .0001
C      .25 .7622 -.0862  .0065  .0027  .0025      0      0 -.0006
O1     .25 .9225 -.0962  .0122  .0028  .0086      0      0 -.0011
O2   .4736 .6810 -.0862  .0053  .0042  .0069  .0008 -.0001  -.003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Aragonite
Download hom/aragonite.pdf
Dal Negro A, Ungaretti L
Download am/vol56/AM56_768.pdf
American Mineralogist 56 (1971) 768-772
Refinement of the crystal structure of aragonite
4.9616 7.9705 5.7394 90 90 90 Pmcn
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)   B(2,3)
Ca     .25 .4151 .2403 .006640 .002837 .004770       0       0 -.000153
C      .25 .7627 .0850 .008507 .003545 .005068       0       0  .000594
O1     .25 .9231 .0952 .014831 .003861 .009870       0       0  .001077
O2   .4729 .6801 .0870 .008513 .005523 .010188 .001234 .000688 -.000260
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 2
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