The Role of Goldschmidt’s Tolerance Factor in the Formation of A2BX6 Double Halide Perovskites and its Optimal Range
Year: 2019
Type: article
Abstract: Vacancy‐ordered double perovskites is a new branch of lead‐free halide perovskites with properties promising for photovoltaic application. In this study, data about the crystal structure of 170 known A2BX6 (X = I, Br, Cl, F) are collected and analyzed to solve a question of applicability of the Goldschmidt’s tolerance factor and octahedral factor to double perovskites. It is found that Goldschmidt’s tolerance factor is applicable for double perovskites in analog with ABX3 perovskites. Suggested optimal ranges of Goldschmidt’s factor expand the geometrical approach from ABX3 perovskites to A2BX6 double perovskites. The result is useful for up to 796 new full inorganic compounds having double‐perovskite structure and designing new hybrid organic–inorganic double perovskites.
Source: Small Methods
Institution: École Polytechnique Fédérale de Lausanne
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2966527963