Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden-Popper hydrides

Nicolas Zapp; Florian Oehler; Marko Bertmer; Henry Auer; Denis Sheptyakov; Clemens Ritter; Holger Kohlmann

doi:10.1039/d2cc04356d

Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden-Popper hydrides

Chem Commun (Camb). 2022 Nov 22;58(93):12971-12974. doi: 10.1039/d2cc04356d.

Authors

Nicolas Zapp¹, Florian Oehler², Marko Bertmer³, Henry Auer⁴, Denis Sheptyakov⁵, Clemens Ritter⁶, Holger Kohlmann¹

Affiliations

¹ Institute of Inorganic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany. holger.kohlmann@uni-leipzig.de.
² Institute of Inorganic Chemistry, Halle-Wittenberg University, Kurt-Mothes-Str. 2, 06120 Halle (Saale), Germany.
³ Felix-Bloch-Institute for Solid-State Physics, Leipzig University, Linnéstr. 5, 04103 Leipzig, Germany.
⁴ Department of Mobile Energy Storage and Electrochemistry, Fraunhofer Institute for Ceramic Technologies and Systems IKTS, Winterbergstraße 28, 01277 Dresden, Germany.
⁵ Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen, Switzerland.
⁶ Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9, France.

PMID: 36326033
DOI: 10.1039/d2cc04356d

Abstract

Substituting 2 O^2- ⇒ N^3- + H^- in LiLa₂HO₃ yields dark-brown heteroanionic hydrides, which were synthesized by solid-state reactions from Li₃N, LaH₃ (and La₂O₃). They crystallize in the K₂NiF₄ type structure with mixed H/N sites in LiLa₂N_1.5H_2.5 and with mixed N/O sites in LiLa₂N_0.84(6)H_1.56(3)O_1.16(6). The latter is a semiconductor with small band gap and partly covalent Li-H interaction.