Hydrothermal synthesis, X-ray structure refinement, 31P NMR spectra and vibrational study of NaLa(HPO4)2

NaLa(HPO4)2 was obtained by hydrothermal synthesis. The structure of NaLa(HPO4)2 was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed a space group P21/c (No. 14), with lattice parameters of a = 9.7151(17) Å, b = 8.320(12) Å, c = 9.83(2) Å, beta = 114.65(17)°, V = 722 (8) Å3 and Z = 4. Final refinement led to RF = 4.86% and RB = 12.35%.The existence of bound O–H and bound P–O in the structure has been confirmed by IR and Raman spectroscopy. The existence of two crystallographically independent phosphorus atoms in the structure has been confirmed by NMR spectrum. The structure is characterized by LaO6 octahedra which are solely connected to six adjacent HPO4 tetrahedra via common O–corners. This structure contains twelve- and four-membered rings forming channels along [ 1 1 ¯ 1 ] . The cross sections of the channels are given by twelve-membered rings consisting of four lanthanum coordination octahedral and eight hydrogenphosphate groups as well as four–membered rings consisting of two lanthanum coordination octahedra and two hydrogenphosphate tetrahedra. Sodium ions are located within those channels of the twelve-membered rings.