Classification of the glaserite structures family by means of group theory

In this thesis, an extensive analysis of the evaluation of group-subgroup relations of glaserite-type compounds by means of group theory phase transition constraints is aimed. Relations of more than 100 structures were used to create a diagram tree containing the information of structures, index, transformation matrix, lattice distortion and global distortion, as well as possible theoretical structures evaluated in order to find intermediate glaserite-type compounds between the high and low symmetry structures. Glaserite-type compounds are compared among the most related structures according to their cation occupancies of their general chemical formula. Comparison of the crystals was obtained in accordance with their symmetry information via Bilbao Crystallographic Server online tools. In addition, the case study was demonstrated step by step to calculate and analyze the group-subgroup relations of BaNa(PO4)2 crystal via transformation of P-3m1 (#164) minimal supergroup to C2/m (#12) maximal subgroup.