Distortions in Octahedrally Coordinated d<sup>0</sup> Transition Metal
Oxides: A Continuous Symmetry Measures Approach
Kang Min Ok
P. Shiv Halasyamani
David Casanova
Miquel Llunell
Pere Alemany
Santiago Alvarez
10.1021/cm0604817.s001
https://figshare.com/articles/Distortions_in_Octahedrally_Coordinated_d_sup_0_sup_Transition_Metal_Oxides_A_Continuous_Symmetry_Measures_Approach/3071329
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.
2006-07-11 00:00:00
0 transition metals
0 transition metal oxide octahedra
symmetry measures approach
distortion
cation
Continuous Symmetry Measures ApproachMore