研究目的
Investigating the development of a simple yet efficient empirical predictive model for predicting the lattice parameters of the perovskite-related inorganic A2BX6 halides crystallizing in the cubic K2PtCl6 structure type.
研究成果
The developed predictive model demonstrates reasonably high performance in predicting the lattice parameters of the cubic K2PtCl6-type halide A2BX6 structures, with a mean relative error of ~0.9%. The model can be recommended for researchers investigating halide systems where a phase A2BX6 of the above type is expected to exist.
研究不足
The model is based on the Shannon effective ionic radii system and assumes a cubic K2PtCl6 structure type, which may not be applicable to all perovskite-related inorganic A2BX6 halides. The use of six-fold Shannon radii for halide anions, instead of five-fold, is noted as a methodological assumption.
