From Framework to Layers Driven by Pressure – The Monophyllo‐Oxonitridophosphate β‐MgSrP3N5O2and Comparison to its α‐Polymorph

Pritzl, Reinhard M.; Prinz, Nina; Strobel, Philipp ; Schmidt, Peter J.; Johrendt, Dirk und Schnick, Wolfgang (2023): From Framework to Layers Driven by Pressure – The Monophyllo‐Oxonitridophosphate β‐MgSrP3N5O2and Comparison to its α‐Polymorph. In: Chemistry – A European Journal, Vol. 29, No. 41

Abstract

Oxonitridophosphates exhibit the potential for broad structural diversity, making them promising host-compounds in phosphor-converted light-emitting diode applications. The novel monophyllo-oxonitridophosphate β-MgSrP3N5O2 was obtained by using the high-pressure multianvil technique. The crystal structure was solved and refined based on single-crystal X-ray diffraction data and confirmed by powder X-ray diffraction. β-MgSrP3N5O2 crystallizes in the orthorhombic space group Cmme (no. 67, a=8.8109(6), b=12.8096(6), c=4.9065(3) Å, Z=4) and has a structure related to that of Ba2CuSi2O7. DFT calculations were performed to investigate the phase transition from α- to β-MgSrP3N5O2 and to confirm the latter as the corresponding high-pressure polymorph. Furthermore, the luminescence properties of Eu2+ doped samples of both polymorphs were investigated and discussed, showing blue and cyan emission, respectively (α-MgSrP3N5O2; λmax=438 nm, fwhm=46 nm/2396 cm−1; β-MgSrP3N5O2; λmax=502 nm, fwhm=42 nm/1670 cm−1).

• Item Type: Journal article
• Faculties: Chemistry and Pharmacy > Department of Chemistry
• Subjects: 500 Science > 540 Chemistry
• ISSN: 0947-6539
• Language: English