When visualizing a crystal structure in VESTA, there's an issue with the display of atoms. In cases where there are two types of atoms with a 50% occupancy rate each at the same position, VESTA defaults to showing a split - atom representation, with half of the sphere representing one element and the other half representing the other. How can I make it display a complete atom of one element and use the quantity of different elements to represent the occupancy rate, instead of splitting an atom into different parts?
Hello Jiefan Liu
I don't know how VESTA can do what you want. But I would like to know why the representation of VESTA doesn't suit you. I think VESTA does it because it's simple. Imagine you have 90%-10% occupancy for two elements in the same site. If it wasn't for this representation, you would have to draw 10 cells to show the dopant atom. What I am saying is that this representation is quite accepted in Crystallography literature and databases. So, why exactly do you need another kind of representation?
Best regards
Ricardo Tadeu
- Badges
- Science topic
- Similar topics
- Instrumentation Engineering
- Instruments