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[sdpd] How to determine the material structure?
Dear All,
I did the neutron experiment on 2 samples(LiCoO2,
Li1.2Zr0.02Co0.98O2)
LiCoO2 belongs to R-3m space group and easily refined.
But Li excess, Zr doped LiCoO2 sample(Li1.2Zr0.02Co0.98O2) has 5
unknown peaks.
It is not ZrO2 peaks.
In Li-Ni-Mn-O system, the amount of Ni decrease and same phenomena
occurs.(R-3m -> C2/m, symmetry reduced)
I try to determine indexing peaks by two methods.
The first one thing is that using the powder indexing programs(ITO,
DICVOL, Treor etc.)
The second thing is that I insert the lattice parameter and angles
randomly in .pcr file(Fullprof program).
But there was no results.
In symmetry reduction case, Ithink that using the symmetry
translation it can be solved.
But I don't know how to symmetry translation or reduction(software
or some reference)
Thanks in advance,
serkwon
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