Abstract

The programs SINDBAD (batch) and STRUMO (interactive) use a chemical bond model to examine structures retrieved from the Inorganic Crystal Structure Database. The bonding topology at any desired level of bond strength is determined from the bonds (and their valences) calculated directly from the atomic coordinates stored in the database. Hydrogen bonding, disorder, internal stress, defects, and diffusion paths can be examined and modeled by using related techniques

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