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Kloss, Simon D.; Schnick, Wolfgang (2018): LiPr2P4N7O3: Structural Diversity of Oxonitridophosphates Accessed by High-Pressure Metathesis. In: Inorganic Chemistry, Vol. 57, No. 7: pp. 4189-4195
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Abstract

The structural diversity of tetrahedra networks of phosphates can greatly be enhanced by introduction of mixed N/O anion positions. LiPr2P4N7O3 exemplifies the benefits of N/O mixed anion positions as it is the first rare-earth (oxo)nitridophosphate with a single-layered structure and a degree of condensation (atomic ratio of tetrahedra centers (P) to tetrahedra corners (N/O atoms)) of 2/5. The compound was prepared through high-pressure metathesis starting from PrF3, LiPN2, Li2O, and PON using a hydraulic 1000t press and the multianvil technique. LiPr2P4N7O3 crystallizes as pale-green single-crystals, from which its structure was determined (space group P2(1)/c (no. 14), a = 4.927(1), b = 7.848(2), c = 10.122(2) angstrom, Q = 91.55(3)degrees, Z = 2, R-1 = 0.020, wR(2) = 0.045). The structure consists of single-layers of vertex-sharing Q(3)-type P(N/O)(4) tetrahedra forming four- and eight-membered rings arranged in the fashion of the Archimedean fes net. UV-vis spectroscopy revealed the typical Pr3+ f-f transitions, leading to a pale-green color of the crystals. Moreover, the optical band gap was determined to 4.1(1) eV, assuming a direct transition. High-temperature powder Xray diffraction showed the beginning of a gradual decomposition starting at ca. 500 degrees C.