title: Li47B3P14N42-A Lithium Nitridoborophosphate with [P3N9]12-, [P4N10]10-, and the Unprecedented [B3P3N13]15-Ion.
abstract: Li47B3P14N42, the first lithium nitridoborophosphate, is synthesized by two different routes using a Li3N flux enabling a complete structure determination by single-crystal X-ray diffraction data. Li47B3P14N42comprises three different complex anions: a cyclic [P3N9]12-, an adamantane-like [P4N10]10-, and the novel anion [P3B3N13]15-. [P3B3N13]15-is the first species with condensed B/N and P/N substructures. Rietveld refinement,6Li,7Li,11B, and31P solid-state NMR spectroscopy, FTIR spectroscopy, EDX measurements, and elemental analyses correspond well with the structure model from single-crystal XRD. To confirm the mobility of Li+ions, their possible migration pathways were evaluated and the temperature-dependent conductivity was determined by impedance spectroscopy. With the Li3N flux route we gained access to a new class of lithium nitridoborophosphates, which could have a great potential for unprecedented anion topologies with interesting properties.
authors.affiliation: Department of Chemistry, University of Munich (LMU), Butenandtstrasse 5-13 (D), 81377, München, Germany.
authors.forename: Eva-Maria
authors.initials: EM
authors.lastname: Bertschler
authors.affiliation: Department of Chemistry, University of Munich (LMU), Butenandtstrasse 5-13 (D), 81377, München, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Bräuniger
authors.affiliation: Institute of Physical Chemistry, Justus-Liebig-Universität Gießen, Heinrich-Buff-Ring 17, 35392, Gießen, Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Dietrich
authors.affiliation: Institute of Physical Chemistry, Justus-Liebig-Universität Gießen, Heinrich-Buff-Ring 17, 35392, Gießen, Germany.
authors.forename: Jürgen
authors.initials: J
authors.lastname: Janek
authors.affiliation: Department of Chemistry, University of Munich (LMU), Butenandtstrasse 5-13 (D), 81377, München, Germany.
authors.forename: Wolfgang
authors.identifier: 0000-0003-4571-8035
authors.initials: W
authors.lastname: Schnick
keywords: borophosphates; conductivity; lithium; nitrides; solid-state structures