Abstract

La 3Ni 2O 7− δ ( δ = 0.65) was synthesized by hydrogen reduction of the parent La 3Ni 2O 7 Ruddlesden–Popper nickelate. The crystal structure of La 3Ni 2O 6.35 (space group: I4/ mmm, a = 3.8742 (1) Å and c = 20.055 (1) Å) has been determined from powder neutron diffraction data by the Rietveld method for the first time. The oxygen vacancies are located in the LaO x planes between two of the NiO 2 layers. Removal of these oxygen atoms from the parent phase results in a significant (∼0.4 Å) shrinkage of the perovskite block along c-direction and splitting of the Ni position. The major part of Ni cations is surrounded by five oxygen atoms forming square pyramids, while the rest are coordinated to six octahedrally arranged oxygen atoms. Over the 170–400 K temperature range, the conductivity of La 3Ni 2O 6.35 follows Mott's variable range hopping model modified for a 2D case.

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