Crystal Chemistry

Arizona State University, Scottsdale AZ

Investigators

Abstract

This project aims to systematically evaluate and describe the structures that arise from packings (including low density ones) of simple geometrical objects such as spheres, polyhedra and cylinders. These will be evaluated for their utility as the basis for designed crystal structures. A complementary study will be the systematic evaluation of the topology of known periodic (crystal) structures to determine how they are related to the geometric packings. A product of this work will be a database of known structures that can be used to identify the topologies of new materials. Also, methods for the determinations of crystal structures of materials for which crystal size is too small for single crystal X-ray diffration will be developed. Techniques for combining electron diffraction with X-ray powder diffraction, and with libraries of possible topologies for structure analysis will also be developed. Experimental work will be focused on the synthesis of novel 3- and 4-connected oxide and oxyhalide frameworks using unusual combinations of elements such as boron either alone or in combination with heavier metals. %%% A program to develop the experimental and theoretical basis for designing and synthesizing new classes of inorganic materials with novel properties has significant potential for high impact in important areas of high national interest, including areas such as new optical, semiconducting, and structural materials of high interest to industry. A unique aspect to this research is the active interplay of the theoretical and experimental components of solid state chemical research to optimize the search for important new materilas.