Factors Affecting the Effective On-Site Repulsion

TABLE 24.1 The Os—0 Bond Lengths of the OsOe Octahedra as well as the BVS and the Oxidation State of the Os + Ions Found in the Osmium Oxides  

DFT + U calculations predict [14]. These above observations reflect that the Os ions have more contracted 5d orbitals than do the Os ions, and hence require a larger value. 

An apparently surprising observation is that for NaOsOs although it has 

Os ions. In general, the oxidation state of an atom A in a molecule or in a solid can be estimated by calculating the bond valence v, [ 19,20] for each A—B bond / the atom A makes with its surrounding atoms B, 

Ba2Na0s06 has a negative Curie-Weiss temperature (6 -10 K). As will be 

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