Kayser González, PaulaInjac, SeanKennedy, Brendan JVogt, ThomasAvdeev, MaximMaynard-Casely, Helen EZhang, Zhaoming2024-01-122024-01-122017Paula Kayser, Sean Injac, Brendan J. Kennedy, Thomas Vogt, Maxim Avdeev, Helen E. Maynard-Casely, and Zhaoming Zhang Inorganic Chemistry 2017 56 (11), 6565-6575 DOI: 10.1021/acs.inorgchem.7b006910020-166910.1021/acs.inorgchem.7b00691https://hdl.handle.net/20.500.14352/92737The crystal and magnetic structures of double perovskites of the type Ba2–xSrxYOsO6 were studied by synchrotron X-ray and neutron powder diffraction methods, bulk magnetic susceptibility measurements, and X-ray absorption spectroscopy. The structures were refined using combined neutron and synchrotron data sets based on an ordered array of corner-sharing YO6 and OsO6 octahedra, with the Ba/Sr cations being completely disordered. The structure evolves from cubic to monoclinic Fm3̅m (x ≈ 0.6) → I4/m (x ≈ 1.0) → I2/m (x ≈ 1.6) → P21/n as the Sr content is increased, due to the introduction of cooperative tilting of the octahedra. Bulk magnetic susceptibility measurements demonstrate the oxides are all anti-ferromagnets. The decrease in symmetry results in a nonlinear increase in the Neel temperature. Low-temperature neutron diffraction measurements of selected examples show these to be type-I anti-ferromagnets. X-ray absorption spectra collected at the Os L3- and L2-edges confirm the Os is pentavalent in all cases, and there is no detectable change in the covalency of the Os cation as the A-cation changes. Analysis of the L3/L2 branching ratio shows that the spin–orbit coupling is constant and insignificant across the series.engjournal articlehttps://doi.org/10.1021/acs.inorgchem.7b00691restricted access546Ciencias23 Química