Attractive or repulsive interactions in different structure types

摘要: Abstract Homogeneous structures of elements A have identical self-coordination numbers different shells like 4 12 12 diamond or 8 6 12 the bcc tungsten lattice (aristotype). AxBy compounds these aristotypes are characterized by T1 T2 T3; y/x 0 12 0; 1 0 6 12; 1 for ZnS CsCl. The T1, T2, T3 values all possible at locations a three-dimensional polyhedron (structure map). Minimum maximum T2 can be correlated with attractive repulsive A–A interactions. y=x homologous y>x and B corners polyhedron. potential A+ B− atoms is similar to distribution A=oil B=water in ordered surfactants. Usually, shape depends on T1 values: tubes T1=2, layers network increased isolated micelles decreased values. T1≥2 nearest neighbors NaTl CeCd2 candidates vacancy diffusion mechanisms. fast interstitial mechanism achieved blocked vacant positions □ Ca□F2 CaTiO3□3. Homologous y/x=2, 4 6 containing 3, 5 7 equivalent spin glasses relaxor ferroelectrics.