I need some cutoff radii to count bonds between different atoms in my system. When a .cif file is opened in Vesta, there are some default values of min and max bond lengths between two atomic species. While the minimum is always 0, the maximum values are different. How is this maximum value determined? Is it good enough cutoff to describe actual bonds in the system?
Minimum and maximum atomic distances can be selected by users. From the crystallographic point of view the nearest neighbour distances depend on the atomic sizes of the involved elements (C-C distance is shorter than U-U distance, for example).
In any case, the best thing is to plot the structure; then, you can measure the distance between selected atoms using the "Distance" tool in the vertical panel on the left (see the image). At this point you have an idea of the distange range and you can select the minimum and maximum atomic distances to be considered in the "bonds" window.