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Based on the latest available crystal data and the reported bond valence parameters, the linear correlation between the bond valence parameter  R  0  with  B  = 0.37 Å for M—O bonds (M = V, Fe and Cu) and the metal oxidation state  n  is shown for the first time. For V—O bonds, a linear equation of  R  0  ∼  n  is perfectly established as  R  0  = 0.0250 n  + 1.674 ( n  = 2–5). Similarly, a linear equation for Fe—O bonds is fitted as  R  0  = 0.0335 n  + 1.648 ( n  = 2–4), as well as  R  0  = 0.0855 n  + 1.482 ( n  = 1–3) for Cu—O bonds fitted properly. In addition, the linear correlation between  R  0  and  n  within certain range of  B  values for V—O and Fe—O bonds is also established. Consequently, the oxidation-state independent parameters ( R  0 ,  B ) of (1.788, 0.32 Å) for V—O bonds and (1.795, 0.30 Å) for Fe—O bonds can be derived from the zero slope of the  R  0  ∼  n  straight lines. However, a similar parameter pair for Cu—O bonds cannot be found using this unique approach.

zeitschrift für kristallographie - crystalline materials

The correlation between metal oxidation state and bond valence parameters for M—O bonds (M = V, Fe and Cu). A simple method to search for the metal oxidation-state independent parameter pairs