In the structure of the new compounds, the M IIO 7 and BiO 6 polyhedra are connected via common oxygen vertices forming infinite helical-like chains, which are linked by P 2O 7 groups into a 3D-framework with pentagonal tunnels, where the Cs + cations are located. In addition, electronic structure (DFT) and Voronoi–Dirichlet polyhedra (VDP) characteristics calculations and crystallochemical analysis were performed. Three novel isostructural diphosphates with the general composition Cs 3M IIBi(P 2O 7) 2 (M II = Ca, Sr and Pb) and the original framework topology were synthesized and characterized via single-crystal and powder X-ray diffraction, SEM, DTA, and FTIR- and UV-VIS-spectroscopy.
Herein, the peculiarities of complex phosphate formation in self-fluxes of Cs–M II–Bi–P–O (M II = Ca, Sr, Ba and Pb) systems with Cs/P = 0.7–1.3 at fixed ratios of Bi/P = 0.2 and Bi/M II = 1.0 were studied and discussed.
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