Distortion parameters
Mathematical expression of the octahedral distortion parameters are given by following equations
\(\zeta\) parameter [1]
\[\zeta = \sum_{i=1}^{6}\left | d_{i} - d_{mean} \right |\]
where \(d_{i}\) is individual M-X bond distance and \(d_{mean}\) is mean metal-ligand bond distance.
\(\Delta\) parameter [2]
\[\Delta = \frac{1}{6} \sum_{i=1}^{6}(\frac{d_{i} - d_{mean}}{d_{mean}})^2\]
where \(d_{i}\) is individual M-X bond distance and \(d_{mean}\) is mean metal-ligand bond distance.
\(\Sigma\) parameter [3]
\[\Sigma = \sum_{i=1}^{12}\left | 90 - \phi_{i} \right |\]
where \(\phi_{i}\) in individual cis angle.
\(\Theta\) parameter [4]
\[\Theta = \sum_{i=1}^{24}\left | 60 - \theta_{i} \right |\]
where \(\theta_{i}\) is individual angle between two vectors of two twisting face.