Synchrotron powder study of Na3V(PO3)3N

Abstract

Polycrystalline trisodium vanadium(III) nitridotriphosphate, Na3V(PO3)3N, was prepared by thermal nitridation of a mixture of NaPO3 and V2O5. The title compound is isotypic with Na3Al(PO3)3N. In the crystal, the P-atom and the three O-atom sites are on general positions, whereas the Na-, V- and N-atom sites are located on threefold rotation axes. The P atom is coordinated by three O atoms and one N atom in form of a slightly distorted tetrahedron. Three PO3N tetrahedra build up a nitridotriphosphate group, (PO3)3N, by sharing a common N atom. The V atom is coordinated by six O atoms in form of a slightly distorted octahedron. The Na+ ions occupy three crystallographically distinct sites. One Na+ ion is situated in an irregular polyhedral coordination environment composed of six O atoms and one N atom, while the other two Na+ cations are surrounded by six and nine O atoms, respectively.