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I am reading a paper regarding the nano crystalline material with hexagonal crystal structure. In that paper in order to find out lattice parameter of hexagonal crystal structure they have fitted a Gaussian curve from the xrd pattern. They have not mentioned in the paper whether they manually or using a program fitted the data. For my purposes I finds out the lattice parameters of a cubic crystal structure without any Gaussian curve fittings.

My question is what is the advantage of using a Gaussian fitted data to find lattice parameters?

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    $\begingroup$ "Is there any softwares which can be used for gaussian fitting of xrd peaks?" Their name is legion. I use ROOT because I'm a particle physicist and already have it installed, but you probably don't want to install and learn it just to fit a peak. Others use their favorite tool. However that part of your question is a make-a-list and not good for the site. $\endgroup$ Jul 9, 2013 at 3:34

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I recall doing this many years ago as a graduate student.

I don't think there's any special reason for using a gaussian. It's just a convenient curve that gives a good approximation to the peak shapes in powder XRD patterns. Fitting a gaussian is just a more accurate way of measuring the peak position than estimating by eye. It's especially useful where to peaks are very close and partially overlap.

Back in the 80s we had to fit each peak separately in a semi-manual process (on a BBC micro!). These days I believe powder pattern analysis software will do all the fitting for you automatically.

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