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Identification of polyhedra and quantification of distortions: Polynator (new version 1.4, september 2023) and PolyDis

Files and software for using Polynator 1.4

L. Link, R. Niewa,  J. Appl. Crystallogr. 56 in press. doi.org/10.1107/S1600576723008476

Polynator is a program that fits model polyhedra to coordination environments by minimizing the squares of vertex deviations. It features a graphical user interface and processes the coordination environments it finds in .cif files with minimal input from the user.

Files for using PolyDis

D. Stoiber, R. Niewa, Z. Kristallogr. 234 (2019) 201-219.

PolyDis is a Microsoft Excel based software that fits model polyhedra by minimizing absolute vertex deviations. It gives the user full control over each coordinate in the coordination environment and fits one polyhedron at a time.

This image shows Rainer Niewa

Rainer Niewa

Prof. Dr. rer. nat.

Professor

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