How to do Reitveld Refinement using X'pert Highscore Plus | Electroceramics Lab

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Electroceramics Lab

Electroceramics Lab

Күн бұрын

Пікірлер: 54
@electroceramicslab7223
@electroceramicslab7223 7 жыл бұрын
Connect with us on twitter (at twitter.com/Eceramicslab ). Spread the word. More interesting videos coming soon.
@sheebasharon1360
@sheebasharon1360 11 ай бұрын
Kindly share if anyone has the download link
@mesca07
@mesca07 5 жыл бұрын
Hi, thanks for the video. I have a little question. Why you put those values of x, y and z? where did you get it? I have a ceria doped compounds and I would like to Ritveld to then
@norfatehah6442
@norfatehah6442 6 жыл бұрын
where i can find the value of x y z of the elements? thank you
@RajendraKumar-qq2xz
@RajendraKumar-qq2xz 8 жыл бұрын
Great work! Keep doing more videos! Please add subtitle or voice to the next tutorials. Thanks for uploading
@harshithagandham1112
@harshithagandham1112 7 жыл бұрын
please provide the same video with voice supported or subtitles to understand the process. it is a sincere request for the contributors of the video
@electroceramicslab7223
@electroceramicslab7223 7 жыл бұрын
We will surely try to bring another video with voice. Stick to the channel. Thanks for the feedbackt!
@nilson5145
@nilson5145 6 жыл бұрын
can you tell me how could solve thhis problem with atomatic rietveld refinement "no valid atom positions available"?
@emreyilmaz7592
@emreyilmaz7592 7 жыл бұрын
It is sure good tutorial but too depressive to watch long. Could you please update with a voice, you know you can add sound after finishing video.
@oddeology1259
@oddeology1259 6 жыл бұрын
why are the values x y z for the elements Zr Sc and Yb 0.75 0.25 and 0.25 respectively? And why are the oxygen ones 0.25 0.25 and 0.05? My material is a A'A''B'B''O3 perovskite type (typically cubic centred phase structure, Pm-3m space group), what should be the values and why?
@electroceramicslab7223
@electroceramicslab7223 6 жыл бұрын
The (x y z) values of different elements of a compound are their fractional coordinates in its unit cell structure. If you probe into the unit cell structure of ZrO2, you will know the positions/ coordinates of each elements. Hope it helps! Good luck!
@maxferrer
@maxferrer 6 жыл бұрын
you can see in the CIF file, with the vesta program.
@O815Horst
@O815Horst 6 жыл бұрын
Well, if you have a CIF file you can simply add it via the 'insert' dialog and don't need to define it manually. And if you seriously don't know what it is you should first have a look at crystal structure theory before you start refining one ;-)
@shreyasi_traveldiary
@shreyasi_traveldiary 6 жыл бұрын
@@O815Horst I was trying to do so but whenever I am running the "Start Rietveld Refinement", its showing a message of "Space group not available or invalid". Please guide me.
@orneljosepadillaestrada2333
@orneljosepadillaestrada2333 5 жыл бұрын
@@electroceramicslab7223 Excuse me; From the database of Highscore,I verified the fractional coordinates x,y,z for selected phase in the video (Zr0.84Sc0.16O1.92). The values for Zr and Sc are right, but for O I got 0.25-0.25-0.028. Can we start with approximations of these values or they must be exact? Further, what about the chosen values for Yb?? I really would like to understand this. Thanks for your advice!
@riddhimanmedhi99
@riddhimanmedhi99 3 жыл бұрын
When you refine occupancy, the final values do not add up to 1 for the metal position, while the oxygen stays at 1 even after refinement. To me that seems to violate stoichiometry and charge neutrality. I am having the same problem. I am using Fe2+ and Fe3+ and O2- ions and checked off ignore ox. state option, I need to map the cation distribution. Is there a way to make sure the refinement follows stoichiometry?
@kavitayadav8351
@kavitayadav8351 4 жыл бұрын
Sir ,plzz suggest what ,I will have to do for refinement,and it is showing like this
@SaumyaShalu
@SaumyaShalu 7 жыл бұрын
The video with FullProf was very helpful, thank you. It would be much nicer if you would consider re-doing this tutorial as well albeit with a voice-over. Thanks in advance!
@electroceramicslab7223
@electroceramicslab7223 7 жыл бұрын
Here is the link:kzbin.info/www/bejne/q2qkcnSJrK1na5Y
@kavitayadav8351
@kavitayadav8351 4 жыл бұрын
Hello sir , good evening Sir,when I click on the reitveld refinement tab it shows no valid atom position available
@anastasendahimana3111
@anastasendahimana3111 4 жыл бұрын
Hello@alpha Physics Academiy by kavita yadav, you need first to set the position of every atom before reitveld refinement
@abufaizal6402
@abufaizal6402 4 жыл бұрын
How long will it take to index??
@iamtahirsattar
@iamtahirsattar 6 жыл бұрын
Hi taem Electrocramics, good work. Do we have to refine every peak or just the major peak, which one is recommended? 2nd, I want to check the occupancy of dopants in host's different slabs. ho can i do that?
@mlfnascimento
@mlfnascimento 7 жыл бұрын
Nice work! When possible, please insert another example...
@electroceramicslab7223
@electroceramicslab7223 7 жыл бұрын
We will bring another video with voice over. Stay tuned!
@winatagojali799
@winatagojali799 6 жыл бұрын
i want to ask why i couldn't convert my pattern list to phase? thanks
@electroceramicslab7223
@electroceramicslab7223 6 жыл бұрын
Please select the phase and drag and drop over to the phase side. That's it.
@lirogitro
@lirogitro 6 жыл бұрын
i have the same problem, have you find a solution ?
@smbharthaniya
@smbharthaniya 5 жыл бұрын
It works great if audio is there. Please add audio if possible.
@nabilchiker6089
@nabilchiker6089 7 жыл бұрын
a very clean job), thank you...... i want to ask you about the method of fitting used in HighScore , is it a Kernel fitting (implemented in the software)???
@sabrikhelifa6493
@sabrikhelifa6493 6 жыл бұрын
salam
@mairaliaqat8143
@mairaliaqat8143 5 жыл бұрын
i have XRD data file saved in "ESG format" how can i open esg file in xpert high score
@tapankumarpani
@tapankumarpani 4 жыл бұрын
Please sir send the download link of expert high score plus software
@gengbeng8203
@gengbeng8203 7 жыл бұрын
sir, how did you know by selecting several atomic coordinates can made up the peak same as reference. i mean is there any book or article that can help?
@electroceramicslab7223
@electroceramicslab7223 7 жыл бұрын
you have to have an idea about the phase that would have stabilized in the material! according to the phase you can specify various atomic coordinates
@johnnywilko12358
@johnnywilko12358 3 жыл бұрын
This is really helpful, thank you!
@kasunseneviratne5754
@kasunseneviratne5754 3 жыл бұрын
Can you send this software to me??
@sanjeev9935
@sanjeev9935 7 жыл бұрын
GOOD WORK, I think we cannot refined occupancy of oxygen atom as it is lighter element CAN WE EXPERT HIGH SCORE FREE
@electroceramicslab7223
@electroceramicslab7223 7 жыл бұрын
You can refine the occupancy of oxygen. In literature, there are reports of estimating the oxygen occupancy using Reitveld Refinement. Please refer the literature. In addition, the X'Pert Highscore software is not free. It comes with the XRD equipment.
@sanjeev9935
@sanjeev9935 7 жыл бұрын
Actually, If X-rays source is synchroton X-rays or neutron diffraction data than it is appropriate to go for it otherwise reports are there, how much they are correct I am not sure, Lighter atoms cannot scatter X-rays properly up to atomic no.10, so they wont be refined any expert can give advice or suggestion. I am having expert highscore without instrument also but it will work only for 32 bit system I need it for 64 bit system Thank you for discussion
@electroceramicslab7223
@electroceramicslab7223 7 жыл бұрын
Yeah, you are right.
@amerziya9216
@amerziya9216 Жыл бұрын
No sound??
@mustaphamatrouf3579
@mustaphamatrouf3579 5 жыл бұрын
please could you share the Xpert high score software and database files, please ^^
@krish_entertainment
@krish_entertainment 5 жыл бұрын
PLEASE ADD AUDIO YOU ARE SHOWING GREAT IF AUDIO IS PRESENT IT IS EXTRAORDINARY
@simpliffica
@simpliffica Жыл бұрын
Que videozinho s2m vergonh1! Cade o audio?? Você é mudo??
@simpliffica
@simpliffica Жыл бұрын
cade a merda do áudio????
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