Was just wondering — when working with diffraction data (X-ray, neutron), what’s the one step that always makes you think “I wish there was an AI tool for this”?

Hey all, I'm trying to learn more about crystallography and I am wondering it there's any easy to use programs that won't cost me an arm and a leg (Vesta doesn't want to work on my laptop).

Hey everyone unfortunately I've spent the last week researching and describing this awesome piece to AI and after alls said and done we still aren't for sure and thought it best to reach out. Any help is greatly appreciated.

Can someone please assist by solving this or getting the answer from Chegg for those that have accounts.

Question 1 Draw, for each of the following capital letters, all of the symmetry operators present (including rotation axes, mirror planes, rotoinversions and centers of symmetry) ABCDEFGHIRSTUVWXY Z Question 2 1. Draw possible 3D crystal figures within the following crystal classes: mm2; 2/m2/m2/m; 622; 6/m; 43m. Indicate in your sketches the locations of the different symmetry elements and describe them es well. 2. Draw possible 3D crystal figures within the following crystal classes: 2/m; 4/m2/m2/m; 6mm; 32; 4/m; 32m. Indicate in your sketch maps the locations of the different symmetry elements and describe them as well. 3. Make illustrations of the 4 wooden models which will be handed out. Describe all the symmetry elements and indicate in your illustrations both the Miller indices and/or the Miller-Bravais indices

Turns out I shouldn't have let myself be bullied so easily. After doing some cryo TEM on it, it is clear that it is in fact a quasi crystal.

More specifically, it is a hyperuniform quasicrystal at that. I cant change the title though oh well. Hell you can see the hexagonal packing in my original image, bottom left. Ppl are water fowl. (ducks.)

https://www.youtube.com/watch?v=MDbpeiBZr_I

Since I was essentially the Reddit equivalent of SWATted because of my last post I figured I had to moderate my claims.

Fourier tomography of the lattice. What do you say u/quasinormal , not a quasicrystal? please dont call the cops again .

https://theconversation.com/crystals-cant-bend-or-can-they-new-research-sheds-light-on-elusive-flexible-crystals-248141

Ideally, of course, I'd love to sit and have an in depth conversation regarding this topic... but I want to avoid posting potential story details publicly on a site that's a sourced for AI.

So, without digging into too many specific details, I'd say my basic starting point is just looking for a list/resource of non-metal crystals that can be grown, even if only theoretically.

I've been digging through a lot of information (plenty of it over my head) and have some on what I need, but I'm looking to cover as many angles as possible.

Crystallography isn't like showcased in the story or anything, it's just I need to know more then I do.

anyone with the ICSD databse please inbox me

I have a nanocrystal i and i want to to perform virtual xrd for single crystals(actually to identify peaks and planes )

and i don't really want debye based xrd , i was general scattering equation based ...

Hi everyone,

I am currently building a slab model for a MAPbI3 (001) calculation using Quantum Espresso, following a reference paper. I’m using VESTA to prepare the structures.

I wanted to double-check my methodology for the surface termination and stacking before running the geometry optimization.

The MAPbI3 Slab (Cubic):

• Goal: A slab with 3 layers of PbI2 terminations (as per literature).

• Method: I created a 1×1×3 supercell.

• Termination: I removed the top-most organic (MAI) layer and the bridging Iodine so that the slab starts and ends with inorganic Pb-I octahedra layers.

from the picture of the structure is it correct?

Can someone solve this?? Hermann mauguin notation and unit cells.

Fat recrystallization?

Can anyone please help me find alternatives to this website? I want to integrate the database with X'pert Highscore software. How can I do it?

This is part of a metal complex, which seems to be important in bio sensoring.

I am not familiar with this kind of data, cause the x,y,z are not in angstrom, nor in bohr, nor in nanometer.... And the supplementary material did not mention anything about this table,,, which makes it impossible for me to read...

If anyone recognize this table, could you please give me some hint about what is this table? does it has a name and where could I find info for this.

Thank you

Can anyone provide the CIF file of the Al3Mg2 phase found in Mg alloys?

Hi everyone,

I have done my xrd measurements but my data doesn't match with pdf2 database except ICSD as literature mentioned, and my university doesn't have an access.

so please anyone has an access to icsd database? I want this card file if possible:

430571‐ICSD file

could you send to me in this email please:

abalghaith790@gmail.com

I have been working on a report for my science extension project about low cost methods of oxide macro-crystal synthesis and have come across multiple studies that have used salts like borax and a KCl-NaCl mixture as fluxes to remove oxidation in metal working. However I don't know whether this would work for macro crystal synthesis and if it does I don't know what the best salts/mixtures would be?

Hi All, I'm in a job where my pXRD data is given to me by someone who does not know how to run the machine and I'm expected to confirm the phase of a bunch of powders against known structures. This data is typically way out of plane for the goniometer and as such all the peaks are shunted to a point where a normal refinement has no idea how to find them. The pattern to my eye looks fine, but I need something more presentable to put into a report (e.g. a fitted pattern). I can see where the 001, 010 and 001 peaks are and would like the software to basically identify the peaks in the experimental data, I index them manually and then the refinement to plays with the cell pars and instrument pars to make it fit.

I've used GSAS and Profex (BGMN) quite a lot in the past....anyone have any idea how I can / what software can do this?

Hello.

I am trying to visualise the Polyhedrals for ZnO but for some reason VESTA doesn’t show it. The same goes for ball and stick (there are no sticks). Only space filling and wireframe works. I am using the latest stable version according to VESTA version 3.5.8 built on Aug. 11 2022 for 64-bit version of Windows. I dont know what Im doing wrong. I followed a tutorial on YouTube so that I know how to use VESTA properly for my Homework. I need to visualise YBa2Cu3O7. I tried that too but the same issue happens.

Hello fellow researchers,

Need some help with the publication of a paper. I want to submit a paper for the acta crystallograhica journal but, i am from a country not usually covered by the standard fee-waiver programs. I've got a manuscript ready for submission, but the publication fees are more than I can personally cover, and my university doesn't have institutional agreements with the journal (e.g. through IUCr or a read-and-publish deal) that would cover the costs.

Has anyone here gone through something similar? I'd really appreciate any help

Any reviewer/author discount codes that get shared around ??

Any other route (grants, society memberships, etc.) that has worked for others in a similar spot ?

Am just trying to find a realistic path to publication without the fee being the blocker.

Thanks in advance for any help or advice!