Date Published: June 01, 2012
Publisher: International Union of Crystallography
Author(s): Hasna Jerbi, Mourad Hidouri, Ben Amara Mongi.
Investigations of the quasi-ternary system Na3PO4–Mg3(PO4)2–NdPO4 allowed us to obtain the new phosphate heptasodium tridecamagnesium neodymium dodecakisphosphate, Na7Mg13Nd(PO4)12, by applying a flux method. The crystal structure is isotypic with that of the previously reported Na7Mg13Ln(PO4)12 (Ln = Eu, La) compounds. It consists of a complex three-dimensional framework built up from an NdO8 polyhedron (m symmetry), an MO6 octahedron statistically occupied by M = Mg and Na, and eight MgOx (x = 5, 6) polyhedra (four with site symmetry m), linked either directely by sharing corners, edges and faces, or by one of the eight unique PO4 tetrahedra through common corners. Two of the PO4 tetrahedra are statisticaly disordered over a mirror plane. The whole structure can be described as resutling from an assembly of two types of structural units, viz [Mg4MP4O22]∞2 layers extending parallel to (100) and stacked along , and [Mg4NdP4O36]∞1 undulating chains running along the  direction. The six different Na+ cations (five with site symmetry m and one with 0.5 occupancy) are situated in six distinct cavities delimited by the framework. The structure was refined from data of a racemic twin.
For the synthesis and luminescent properties of new phosphates for optical devices, see: Ngee et al. (2009 ▶); Shinde et al. (2011 ▶). The title structure is isotypic with Na7Mg13Ln(PO4)12 (Ln = La, Eu) (Jerbi et al., 2010 ▶). For P—O distances in orthophosphates, see: Baur (1974 ▶). For Mg—O distances, see: Ben Amara et al. (1983 ▶); Jaulmes et al. (1997 ▶); Klevtsova et al. (1980 ▶), For Na—O distances, see: Donnay & Allmann (1970 ▶), and for Nd—O distances, see: Albrand et al. (1974 ▶).