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Can I read Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces on EtoBox?
Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces by P. M. Woodward is a Chemistry article available to read on EtoBox.
What is Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces about?
The 23 Glazer tilt systems describing octahedral tilting in perovskites have been investigated. The various tilt systems have been compared in terms of their A-cation coordination and it is shown that those tilt systems in which all the A-cation sites remain crystallographically equivalent are strongly favored, when all the A sites are occupied by the same ion. Calculations based on both ionic and covalent models have been performed to compare the seven equivalent A-site tilt systems. Both methods predict that when the tilt angles become large, the orthorhombic a+b-btilt system will result in the lowest energy structure. This tilt system gives the lowest energy structure because it maximizes the number of short A---O interactions. The rhombohedral a-a-atilt system gives a structure with a slightly lower Madelung energy, but increased ion-ion repulsions destabilize this structure as the tilt angles increase. Consequently, it is stabilized by highly charged A cations and small to moderate tilt angles. The ideal cubic a°a°a° tilt system is only observed when stabilized by oversized A cations and/or M---O 7r-bonding. Tilt systems with nonequivalent A-site environments are observed when
Who reads Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- P. M. Woodward
- Publisher
- International Union of Crystallography (IUCr)
- Published
- 1997
- Language
- EN
- Field
- Chemistry (Physical Sciences)