Structural features of the oxidonitridophosphates K3 M III(PO3)3N (M III = Al, Ga)

Acta Crystallogr E Crystallogr Commun. 2021 Nov 2;77(Pt 12):1213-1218. doi: 10.1107/S2056989021011336. eCollection 2021 Dec 1.

Abstract

Cubic crystals of tripotassium aluminium (or gallium) nitridotriphosphate, K3 M III(PO3)3N (M III = Al, Ga), were grown by application of the self-flux method. In their isostructural crystal structures, all metal cations and the N atom occupy special positions with site symmetry 3, while the P and O atoms are situated in general positions. The three-dimensional framework of these oxidonitridophosphates is built up from [M IIIO6] octa-hedra linked together via (PO3)3N groups. The latter are formed from three PO3N tetra-hedra sharing a common N atom. The coordination environments of the three potassium cations are represented by two types of polyhedra, viz. KO9 for one and KO9N for the other two cations. An unusual tetra-dentate type of coordination for the latter potassium cations by the (PO3)3N6- anion is observed. These K3 M III(PO3)3N (M III = Al, Ga) compounds are isostructural with the Na3 M III(PO3)3N (M III = Al, V, Ti) compounds.

Keywords: (PO3)3N anion; crystal structure; cubic symmetry; isotypism; self-flux crystal growth.