Distortions in Octahedrally Coordinated d<sup>0</sup> Transition Metal Oxides: A Continuous Symmetry Measures Approach
2006-07-11T00:00:00Z (GMT) by
More than 750 d<sup>0</sup> transition metal oxide octahedra have been examined in order to better understand the out-of-center distortion occurring with these cations. A continuous symmetry measures approach was used to quantify the magnitude and direction of the distortion. Using this approach we were able to divide the d<sup>0</sup> transition metals into three categories: strong (Mo<sup>6+</sup> and V<sup>5+</sup>), moderate (W<sup>6+</sup>, Ti<sup>4+</sup>, Nb<sup>5+</sup>, and Ta<sup>5+</sup>), and weak (Zr<sup>4+</sup> and Hf<sup>4+</sup>) distorters. We also examined and discussed the directional preference of the distortion for each cation.
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