Trigonal Planar [PN₃]⁴⁻ Anion in the Nitridophosphate Oxide Ba₃[PN₃]O

Abstract

Nitridophosphates, with their primary structural motif of isolated or condensed PN4 tetrahedra, meet many requirements for high performance materials. Their properties are associated with their structural diversity, which is mainly limited by this specific building block. Herein, we present the alkaline earth metal nitridophosphate oxide Ba3[PN3]O featuring a trigonal planar [PN3]4– anion. Ba3[PN3]O was obtained using a hot isostatic press by medium‐pressure high‐temperature synthesis (MP/HT) at 200 MPa and 880 °C. The crystal structure was solved and refined from single‐crystal X‐ray diffraction data in space group R‐3c (no.167) and confirmed by SEM‐EDX, magic angle spinning (MAS) NMR, vibrational spectroscopy (Raman, IR) and low‐cost crystallographic calculations (LCC). MP/HT synthesis reveals great potential by extending the structural chemistry of P to include trigonal planar [PN3]4– motifs.