Аннотация:Abstract. The spectroscopic investigation of the solid solutions GdCr3(BO3)4
(sp.gr. R32) – NdCr3(BO3)4 (sp.gr. С2/с) is presented. The single crystals
NdxGd1-xCr3(BO3)4, 0≤x≤1 with the step of 0.1, were grown by a flux method.
Crystal structures were identified by terahertz and optical spectroscopy
methods. Ab initio calculations in the frame of density functional theory
allowed us to separate modes belonging to the R32 and C2/c phases and to
estimate the ratio of these phases in NdxGd1-xCr3(BO3)4 crystals. Content of
the monoclinic phase (C2/c) increases with growth of the Nd concentration.