The XRD profile of Sm2O3 we have is not matching with any of the already reported phases and so I presume a new phase is found. I need some help in the solving crystal structure using Powder XRD pattern. somebody help please. thank you in advance
The profile pattern is attached as 2theta, Intensity file
I guess you checked already, but see the monoclinic structure (https://www.researchgate.net/publication/255333553_The_crystal_structure_of_monoclinic_Sm2O3)
you can have a look there, where there is a cubic structure mentionned in a table page 123. It is alos explained how to identify Crystal structure from XRD patterns, and which software to use.
http://usir.salford.ac.uk/30746/1/Stuart_Atkinson_thesis.pdf
Before starting solving a new structure, you will have to check few points in order not to spare a lot of time in vain:
how was synthetised the material, and is it pure or not? single phase or not? what other information do you have on the sample? (elemental analysis for instance)?
I hope it will help.
Article The crystal structure of monoclinic Sm2O3
Dear Prof. Herve
Thank you for the answer. We had a problem in recording the pattern and hence the trouble. I will try it .
Israel Samuel
You have negative intensity values at several 2theta positions. This is clearly not the as-collected data.
In addition to Edwards comment, your data points are not at equal spacing. I have not seen this before with any data collection.
The biggest problem you have is the data. It seems that you have many points describing the background but only one point for each peak. A rule of thumb is that you need at least 7 points above FWHM to describe a peak.
It is impossible to work from such data that appears to have been processed beyond recognition. Are you able to show the original file?
Dear Prof Ian
Well. somehow the data collector sent us this data and I didnt notice what you said. Three days before when my student came with this problem I found that too. Puzzled at the way this data is collected. Something is wrong with the instrument and we have complained it. Thanks for the reply.
Israel Samuel
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