Symmetry of (Na0.5R0.5)MO4 crystals (R = Gd,La; M = W,Mo)

Kinetic order-disorder phase transitions (space group space group $ Ibar 4 $ Ibar 4 ↔ space group I4₁/a) have been considered for nonactivated and activated scheelite compounds (Na_0.5Gd_0.5)WO₄ (NGW), (Na_0.5Gd_0.5)MoO₄ (NGM), (Na_0.5La_0.5)WO₄(NLW), and (Na_0.5La_0.5)MoO₄ (NLM) synthesized by the Czochralski method and structural and growth sources of crystal dissymmetrization have been suggested. For NGW, it was shown that an increase in the difference between the content of Gd and Na in two positions of the structure with space group $ Ibar 4 $ Ibar 4 and their ratio leads to an increase in the deviation from centrosymmetry. On the basis of available literature data and our results, it was demonstrated that the degree of order depends on the initial composition of the reaction mixture, crystal growth and cooling rates, activator concentrations, and postgrowth treatment conditions. The inconsistency between X-ray diffraction data and asynchronous second harmonic generation studies was explained by the possibility of formation of centrosymmetric superstructures and/or local ordering of atoms.