Fast Dynamic Exchange between Na+OH– Ion Pairs and H2O Molecules in Sodalites

Murshed, M. Mangir; Gesing, Thorsten M.

doi:10.1002/zaac.200900061

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Sn₆[P₁₂N₂₄] – A Sodalite‐Type Nitridophosphate

Pucher¹,

Schirnding²,

Hummel³

et al. 2014

Eur J Inorg Chem

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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.

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