Systematic, properties, and structure predictions of new borate materials

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Abstract
New borates with the non‐linear optical properties, obtained and investigated in Moscow State University in the last years, are reviewed. The positions of compounds in systematic were determined including complicate cases using topology and symmetry analysis of anionic radicals with the separation of blocks, typical for borate groups. Such approach revealed structural correlations between borates and silicates and led to prediction of new structures, two of which are realized. The origin of properties is connected with the highly polarizable electron density on lone pair or asymmetric bonds, presented in the structures. Experimental observation electron density distrubution has been made for Pb‐hilgardite, a crystal with the high optical non‐linearity. Different approaches to the structure‐properties relation are discussed.

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