Structure-Properties Relations in Two Iodate Families Studied by Topology-Symmetry Analysis of OD Theory

Abstract

Single crystals of new non-centrosymmetric iodate Ba(IO3)OH are synthesized hydrothermally and structurally investigated. OD topology-symmetry analysis of layers and their alternation led to conclusions about the similarity with the Bi(IO3)O nonlinear-optical crystal. Both structures are members of a general family with differences in structures and properties. AgBi(IO3)4 and AgBi(SO4)(IO3)2 belong to another family with the two types of layers giving different local symmetry. The properties are estimated semi-quantitatively based on structural data. Such an approach is new and promising. Hypothetical structural variants are predicted.

Keywords

• hydrothermal synthesis
• single crystal X-ray diffraction
• iodates
• topology-symmetry analysis
• OD theory
• structure-properties relation