Sn 6 [P 12 N 24 ] was synthesized from Sn and HPN 2 at 820°C in an evacuated silica glass ampoule. According to powder Xray diffraction investigations and Rietveld refinement [space group I43m (no. 217), a = 8.2882(2) Å, R P = 0.03645, wR P = 0.04613], Sn 6 [P 12 N 24 ] crystallizes with a sodalite-type structure with a reduced occupation factor of 3/4 for the Sn atom at Wyckoff site 8c and an empty Wyckoff site 2a at the center of the β-cages. The structural results are further corroborated by energy-dispersive X-ray spectroscopy (EDX) analyses, so- [a]382 lid-state NMR spectroscopy, and theoretical investigations (DFT), including density of states (DOS), energy/volume, and electron localization (ELF) calculations. The 119 Sn Mössbauer spectrum shows a single, quadrupole-split signal for Sn II at an isomer shift of 3.05 mm/s. In addition to SiPN 3 with a defective wurtzite type of structure, the nitridophosphate sodalite Sn 6 [P 12 N 24 ] represents the second ternary nitridophosphate containing only p-block elements.

Sn 6[P12N24] -A Sodalite-Type Nitridophosphate. -The title compound is synthesized from a mixture of Sn powder and HPN 2 (evacuated silica ampule, 820 C, 85 h) and characterized by powder XRD, solid state MAS NMR spectroscopy, 119 Sn Moessbauer spectroscopy, and DFT electronic structure calculations. Sn6[P12N24] crystallizes with a sodalite-type structure in the cubic space group I43m with Z = 1. In addition to SiPN 3 it represents the second ternary nitridophosphate containing only p-block elements. -(PUCHER, F. J.; FRHR. VON SCHIRNDING, C.; HUMMEL, F.; CELINSKI, V. R.; SCHMEDT AUF DER GUENNE, J.; GERKE, B.; POETTGEN, R.; SCHNICK*, W.; Eur. J. Inorg. Chem. 2015, 3, 382-388, http://dx.