In my manuscript, one of the reviewer comment: "XRD indexing is wrong in below figure"? i used :α=Ni, β=Ti, π=Si, ϒ=NiTi, λ=NiTi2, η=Ni3Ti, ζ=Ni3Ti4, φ=Ni4Ti3, χ=Ni2Si, o=TiSi2, τ=Ni3Ti2Si, ω=Ni4Ti4Si7. Also i have got (hkl) value for each.
please suggest, where is my fault. Thank You.
Yes you are wrong.. Please index it with proper plane (integer number, for example [1 0 0])).You can index the planes with the help of JCPDS file. I suggest you please give a look into any article where XRD data is already reported.
It might be that he wanted it according to symbols indicating the each phases on corresponding peaks instead of each phase appearing on the peaks. You should put legend in the top right corner: which shows; which symbol corresponds to what phase.
Hope that is what he means!
Index it with proper hkl indices not with alpha, beta, gamma etc. Take the help of Powder X software and JCPDS file data for indexing
1.The grey one is out of range of your table scale
2.The α，β should be changed to probable plane.([1 0 0] ,for example)
Make it clear and specify what the proper hkl values are. you may try to elaborate the phase changes by showing of clear angles of peaks
I have a question . What is the meaning of the negative intensity in your pattern?
Indexing OF XRD Pattern means assigning the proper hkl values to peaks based on their symmetry. If all the peaks in pattern are belonging to only one compound then it is phase pure sample. Single chemical compound can posses different symmetries and have different XRD patterns. If you want to assign the peaks to different phases you can use asterisk mark or any other symbol. You have not indexed your XRD pattern. If you want to index your XRD pattern Extract the 'd' values from XRD peaks and then use different softwares (for their indexing). You can directly introduce your XRD data into Win plotr software in fullprof and you can find different indexing programmes in it like ITO, TROER, DICVOL etc., By the way what is that Compound you want to check... If you are agree I can help you in indexing the same...
In addition, You cannot indicate "increase in annealing time" on Y-axis, since I believe that these XRD patterns are simply stacked together. In my opinion, put the time near individual XRD pattern and the reviewers/readers would understand how XRD pattern evolves with the annealing time. I hope it helps. Good luck with your revision.
Thank you. I got some of my mistake in figure. But can we put multiple element/compound in a single peak?
Can you let me know your material. is it alloy?. I will help you out from this problem by providing standard/simulated XRD patterns.. so that you can overlay them on your XRD patterns and then you can write hkl too in it... with some symbol indication materials e.g. * for Ni or # for Ti etc...
@ Bhange, My material is Ni and Ti multi-layer. After heat treatment it forms alloy as well as intermetallics.
I am providing you herewith a standard simulated XRD pattern of NiTi alloy with 1:1 composition.. you can overlap the pattern with yours and check whether it is matching or not to yours one... Generally there are several compositions of alloys of Ni and Ti.... There are almost 15 different entries in the literature (http://www.crystallography.net/result.php).
If i have to match/index ur pattern I may need to know the composition of alloy
I am attaching simulated XRD of NiTi alloy here.. you can plot it along with your data and just let me know whether it is matching or not...
First of all, your XRD pattern y axis is showing an intensity range common for all the cases..is it true for all your patterns..... i do not think so.......if you want to stack together... you normalize and then put it......secondly, as all of friends indicated you may highlight the (hkl) on the each peak or you can tabulate 2 theta values and their corresponding hkl, pdf ref. You may follow the hannawalt method for cross check......You are getting overlapped peaks for phases, you may have to deconvolute the peaks... you can use Xpert high score plus for this..... of take fullprof suite.... all the best.....
the best XRD data and good search-match program with ICDD database should be used for correct identification of the phases.and use programme (PC WIN PDF) it is online .if your work match iwith figures inside this programme your work is not wrong.
good luck
- Badges
- Science method
- Similar topics
- Methodology
- Crystallography
- X-ray Diffraction