Identification of Three-Dimensional Crystal Lattices by Estimation of Their Unit Cell Parameters

The problem of the identification of three-dimensional crystal lattices is considered in the article. Two matching methods based on estimation of unit cell parameters were developed to solve this problem. The first method estimates and compares main parameters of Bravais unit cells. The second method estimates and compares volumes of Wigner-Seitz unit cells. Both methods include normalised similarity measures: an edge similarity measure and an angle similarity measure for Bravais cells and a volume similarity measure for Wigner-Seitz cells. The results of computational experiments on the large set of simulated lattices showed that the developed methods allowed to achieve the identification accuracy above 90% for four lattice systems.