Abstract
Quadratic elongation and the variance of bond angles are linearly correlated for distorted octahedral and tetrachedral coordination complexes, both of which show variations in bond length and bond angle. The quadratic elongation is dimensionless, giving a quantitative measure of polyhedral distortion which is independent of the effective size of the polyhedron.
Keywords
Affiliated Institutions
Related Publications
Theory of Ionic Ordering, Crystal Distortion, and Magnetic Exchange Due to Covalent Forces in Spinels
Elastic- and electrostatic-energy considerations are insufficient for an explanation of cation ordering between tetrahedral and octahedral sites in spinels. Tetrahedral, octahed...
Structural destabilization induced by lithium intercalation in MoS<sub>2</sub> and related compounds
2H-MoS 2 is a semiconductor with a hexagonal layered structure. Each Mo atom is prismatically coordinated by six S atoms. Our in situ X-ray diffraction results indicate that, up...
Structure validation by Cα geometry: ϕ,ψ and Cβ deviation
Abstract Geometrical validation around the Cα is described, with a new Cβ measure and updated Ramachandran plot. Deviation of the observed Cβ atom from ideal position provides a...
Publication Info
- Year
- 1971
- Type
- article
- Volume
- 172
- Issue
- 3983
- Pages
- 567-570
- Citations
- 2016
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1126/science.172.3983.567
- PMID
- 17802221