Bond-length distributions classified by coordination environments
Motonari Sawada, Ryoga Iwamoto, Takao Kotani, Hirofumi Sakakibara
TL;DR
This paper analyzes bond-length distributions in crystal structures, classifying them by cation coordination environments using the Chemenv tool, to enhance understanding of structural chemistry.
Contribution
It introduces a systematic classification of bond-length distributions based on coordination environments using the Chemenv tool.
Findings
Bond-length distributions vary with coordination environments.
Classification improves understanding of structural chemistry.
Provides a comprehensive dataset for further analysis.
Abstract
We have analyzed bond-length distributions between cations and anions for crystal structures in the crystallographic open database (www.crystallography.net/cod/). The distributions are classified by the coordination environments of cations, which are determined by a tool named as Chemenv (Acta Cryst. (2020). B76, 683-695).
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Taxonomy
TopicsX-ray Diffraction in Crystallography · Crystallography and molecular interactions · Crystal structures of chemical compounds