Relationship between the energy characteristics of formation of fluorozirconates

A correlation is established between the mean energy of fluorine addition i n a particular coordination polyhedron and the fluorine content in fluorozi rconates by quantum chemical model cluster calculations and analysis of str uctural data for crystalline fluorozirconates A new energy approach to stud ies of complex fluorides is suggested. It is shown that the mean energy of fluorine addition varies within a narrow range for any structural unit met in real fluorozirconate crystals. Based on the energy approach to analysis of vibrational spectra it is found that the coordination number of zirconiu m in a series of barium fluorozirconate glasses is 7 or 8.