Comprehensive Investigation of Anion Species in Crystalline Li+ ion Conductor Li27−x[P4O7+xN9−x]O3 (x≈1.9(3))

Schneider, Stefanie; Wendinger, Eva‐Maria; Baran, Volodymyr; Hatz, Anna‐Katharina; Lotsch, Bettina V. ; Nentwig, Markus; Oeckler, Oliver; Bräuniger, Thomas und Schnick, Wolfgang (2023): Comprehensive Investigation of Anion Species in Crystalline Li+ ion Conductor Li27−x[P4O7+xN9−x]O3 (x≈1.9(3)). In: Chemistry – A European Journal, Bd. 29, Nr. 27

Abstract

The Li+ ion conductor Li27−x[P4O7+xN9−x]O3 (x≈1.9) has been synthesized from P3N5, Li3N and Li2O in a Ta ampoule at 800 °C under Ar atmosphere. The cubic compound crystallizes in space group urn:x-wiley:09476539:media:chem202300174:chem202300174-math-0001 with a=12.0106(14) Å and Z=4. It contains both non-condensed [PO2N2]5− and [PO3N]4− tetrahedra as well as O2− ions, surrounded by Li+ ions. Charge neutrality is achieved by partial occupancy of Li positions, which was refined with neutron powder diffraction data. Measurements of the partial ionic and electronic conductivity show a total ionic conductivity of 6.6×10−8 S cm−1 with an activation energy of 0.46±0.02 eV and a bulk ionic conductivity of 4×10−6 S cm−1 at 25 °C, which is close to the ionic conductivity of amorphous lithium nitridophosphate. This makes Li27−x[P4O7+xN9−x]O3 an interesting candidate for investigation of structural factors affecting ionic conductivity in lithium oxonitridophosphates.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 0947-6539
• Sprache: Englisch