DOI: 10.1039/d3dt01990j ISSN:
Investigation on the predictive power of tolerance factor τ for A-site double perovskite oxides
Elisabeth K. Albrecht, Antti J. Karttunen- Inorganic Chemistry
The predictive power of recently introduced new tolerance factor τ is investigated for AA′B2O6 double perovskites. Quantum chemical methods have been used to study all relevant combinations of cation ordering and tilting.