Hello,
I want to obtain X, Y, Z position of atoms for La0.6Sr0.4Fe0.8Co0.2O3 rhombohedral structure. How can I obtain it ? Can anyone help me for it ? I have data for XRD.
a=5.7 c=13.367 (hexagonal setup)
La and Sr substitute each other at 0,0,0.25
and Co and Fe do the same at 0,0,0
O has been deteremined at 0.5202,0,0.25
The space group is R-3c, i.e. 167
Hi Basker,
In addition to the previous answer, I think you can find those parameters from ICSD website (for free) from googles or other and also you have to know first which the JCPDF which is matched to your sample (spinel phase). I hope this will be useful.
Hi
You can generate x,y,z positions of atoms if you know the space group, lattice parameters, and also the fractional coordinates of each element in the unit cell.
You can use the Atoms program.
There was also the online version of ATOMS program but now it is offline. you can try few days later.
http://cars9.uchicago.edu/cgi-bin/atoms/atoms.cgi
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