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Structure, Infrared and Raman spectroscopic studies of the new Ba(NbV0.5MIII0.5)(PO4)2 (MIII = Al, Cr, Fe, In) yavapaiite compounds ‘series

Rachid Fakhreddine, Abderrahim Aatiq


Synthesis and structural study of the new Ba(NbV0.50MIII0.50)(PO4)2 (MIII = Al, Cr, Fe, In) phosphates, abbreviated as [BaNbM], were reported here for the first time. Structures of [BaNbM] compounds, obtained by solid-state reaction in air atmosphere, were determined at room temperature from X-ray powder diffraction using the Rietveld method. The four studied compoundsfeature the yavapaiite-type structure, with space group C2/m ( , N°12) and Z = 2. Their framework can be described as consisting of dense slabs of Nb(M)O6 octahedra and PO4 tetrahedra interconnected via corner-sharing, alternating along the c‑axis with layers of Ba cations in ten-fold coordination. Raman and Infrared spectroscopic study were used to obtain further structural information about the nature of bonding in selected compositions. Assignments of Nb‑O, M‑O and P‑O Raman and Infrared bands, in [BaNbM] compounds, were based on those already known in the literature for niobium and phosphates oxides. Some empirical relationships, connecting Raman stretching frequencies to the obtained Nb‑O and P‑O distance values, were also used for assignments of various Raman bands.

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