Link, LukasNiewa, Rainer2024-07-242024-07-2420231600-57670021-88981896851940http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-147188http://elib.uni-stuttgart.de/handle/11682/14718http://dx.doi.org/10.18419/opus-14699Polynator is a Python program capable of identifying coordination polyhedra, molecules and other shapes in crystal structures and evaluating their distortions. Distortions are quantified by fitting the vertices of a model to a selected set of atoms. In contrast to earlier programs, models can be deformable, which allows them to represent a point group or a range of shapes such as the set of all trigonal prisms, rather than a specific, rigid shape such as the equilateral trigonal prism. The program comes with a graphical user interface and is freely available. This paper discusses its working principle and illustrates a number of applications.eninfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/4.0/540article2024-04-25