the stereochemistry of the actinide elements has recently undergone considerable development and a wide variety of coordination numbers and geometries have been observed. this structural versatility arises from the lack of strong crystal field effects for the 5f-electronic configurations as well as from the large ionic radii of these metal ions, which change markedly with oxidation number, or a...

the interaction between dmso and alkaline earth perchlorates in anhydrous acetonitrile was investigated by ft-ir spectroscopy. a quantitative study was performed to determine the average number of bonded dmso molecules using v (so) and v (c-s) vibrations. changes in coordination numbers were observed both with increasing atomic numbers and the solvent composition. none of the investigated syste...

Coordination numbers and geometries form a theoretical framework for understanding predicting materials properties. Algorithms to determine coordination automatically are increasingly used machine learning (ML) automatic structural analysis. In this work, we introduce MaterialsCoord, benchmark suite containing 56 experimentally derived crystal structures (spanning elements, binaries, ternary co...