LaSr₃NiRuO₄H₄: A 4d Transition‐Metal Oxide–Hydride Containing Metal Hydride Sheets

Abstract

The synthesis of the first 4d transition metal oxide-hydride, LaSr₃ NiRuO₄ H₄ , is prepared via topochemical anion exchange. Neutron diffraction data show that the hydride ions occupy the equatorial anion sites in the host lattice and as a result the Ru and Ni cations are located in a plane containing only hydride ligands, a unique structural feature with obvious parallels to the CuO₂ sheets present in the superconducting cuprates. DFT calculations confirm the presence of S=1/2 Ni⁺ and S=0, Ru²⁺ centers, but neutron diffraction and μSR data show no evidence for long-range magnetic order between the Ni centers down to 1.8 K. The observed weak inter-cation magnetic coupling can be attributed to poor overlap between Ni 3dz2 and H 1s in the super-exchange pathways.