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Updated: Aug 21, 2025

Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
Published on: November 11, 2013
Structure Determination of the Crystalline LiPON Model Structure Li5+x P2 O6-x N1+x with x≈0.9
Stefanie Schneider1, Lucas G Balzat1,2, Bettina V Lotsch1,2
1Department of Chemistry, University of Munich (LMU), Butenandtstraße 5-13, (D) 81377, Munich, Germany.
Abstract:
Non-crystalline lithium oxonitridophosphate (LiPON) is used as solid electrolyte in all-solid-state batteries. Crystalline lithium oxonitridophosphates are important model structures to retrieve analytical information that can be used to understand amorphous phases better. The new crystalline lithium oxonitridophosphate Li5+x P2 O6-x N1+x was synthesized as an off-white powder by ampoule synthesis at 750-800 °C under Ar atmosphere. It crystallizes in the monoclinic space group P21 /c with a=15.13087(11) Å, b=9.70682(9) Å, c=8.88681(7) Å, and β=106.8653(8)°. Two P(O,N)4 tetrahedra connected by an N atom form the structural motif [P2 O6-x N1+x ](5+x)- . The structure was elucidated from X-ray diffraction data and the model corroborated by NMR and infrared spectroscopy, and elemental analyses. Measurements of ionic conductivity show a total ionic conductivity of 6.8×10-7 S cm-1 at 75 °C with an activation energy of 0.52±0.01 eV.
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