A correlation between oxygen site distributions and ionic conductivity has been established in the recently discovered family of oxide-ion conductors BaO (M = Nb, V, Mo, W). We rationalize this observation on the basis of structural insights gained from the first single-crystal neutron diffraction data collected for a member of this family, BaNbWO, and theoretical considerations of bonding and O site energies.
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| http://dx.doi.org/10.1021/acs.inorgchem.0c02035 | DOI Listing |
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