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Over the last few years of the heyday of hybrid halide perovskites, so manymetal cations additives have been tested to improve their optoelectronicproperties that it is already difficult to find an element that has not yetbeen tried. In general, the variety of these approaches is united under thename "doping", however, there is currently no clear understanding of themechanisms of the influence of the metal ion additives on the properties of thelead halide perovskite materials. For many ions there is even no consensus onthe most fundamental questions: what lattice position does a given ion occupyand is it incorporated in the structure at all? Here, we derived a system ofeffective radii of different metal ions in the iodine environment for the setof iodide compounds and reveal their crystal chemical role in the APbI3perovskites. We analysed the possible lattice positions for 40 most commonmonovalent, divalent, and trivalent metals to reveal whether they couldsuccessfully enter into the perovskite structures. We show that, at most, threeparameters - effective size, electronegativity and the softness of metal ionsare the main ones for crystal chemical analysis of the possibility of metaldoping of hybrid halide perovskites. Our results provide a useful theoreticalguidance to rationalize and improve current doping strategies of hybrid halideperovskites with metal ions.

Crystal chemical insights on lead iodide perovskite doping from revised effective radii of metal ions