Unlock New Material Structures with XRD Powder Diffraction

https://rigaku.com/
Discover how to determine unknown material structures using powder XRD data when single crystals aren't feasible. We explore the step-by-step process, from data collection to refinement, including tools like Rigaku's SmartLab Studio.
[07:21-07:57]
XRD can also, diffraction pattern, we can find, uh, the s- the brand new structure of a material. Usually, the easier or a better approach is always find a single crystal and know the new structure of a material. But sometime, crystals do not grow big enough, or under the c- changes, temperature changes condition, they are so small that one cannot collect a small, uh, single crystal of a suitable t- form to do a single crystal work. In that case, it is quite common to perform a full brand new structure analysis using a structure solution, uh, powder work.
[07:57-08:18]
This involves preparing a, a, a form, a clean sample, a, a good high resolution, high, uh, high resolution, and high intensity XRD data, and, uh, the, the powder diffraction pattern, then what we per- do is indexing, which is identifying the unit cell. We extract the intensities from this then and assign a space group.
[08:18-08:51]
Then involving one of these methods or a combination of these method, direct methods, direct space method, charge flipping methods, essentially all of them are energy minimization techniques to find the best structure, uh, which fits under this condition. And then there is a rebuild refinement process after f- also finding the unknown different, um, peaks from the difference Fourier maps, and this, this sort of now 90%, uh, found structure is refined and rest of the molecules are built using rebuild refinement, and then you can verify the structure.
[08:52-09:10]
This is a, uh, this is a, a very involved process, finding a brand new structure from powder diffraction pattern, and Regaco provides through SmartLab Studio too a package dedicated to it. It's called Structure Determination Package, which takes you step by step through all this process to find a brand new structure.

Видео Unlock New Material Structures with XRD Powder Diffraction канала Rigaku Corporation