TYPIX Standardized Data and Crystal Chemical Characterization of Inorganic Structure Types

The crystaLLographer usuaLLy needs, as a compLement to his experimentaL work, a smaLL structure data compiLation. My first, some 25 years ago, was a hand-written List of structure types containing space group, unit ceLL data and positionaL atom coordinates. Some 20 years ago, when computers had become a more easiLy accessibLe tooL, a smaLL computer test fiLe was created with the help of Dr. Jan Portheine, which was LabeLLed TYPIX. Assisted by Dr. KLaus Yvon I inserted in the fiLe the somewhat more than 200 inorganic crystaL structure types which were of interest for our research or with which I was famiLiar from my previous experimentaL crystaL structure studies on intermetalLics and tetrahedraL structure compounds. We soon stopped our work on TYPIX because we reaLized that simpLy storing structure data copied from the Literature did not serve our finaL objective. I had, for exampLe, Listed the structures of certain isotypic compounds as separate distinct structure types because, due to a different setting or description given in the originaL Literature, I missed their isotypism. In other cases, with good Luck, I found the isotypism and succeeded in correctLy transforming one description to the other but then did not know which of the different but equivaLent descriptions I shouLd retain in my data coLLection.

Texte du rabat

TYPIX is a critical compilation of crystallographic data prepared by E. Parthe at the University of Geneva. It contains over 3200 compounds representative of the structure types found among inorganic compounds. This work contains condensed crystal chemical information about individual structure types as well as an extensive chapter on the crystal chemistry of particular structure families. The aim of the compilation is to clarify and classify published data for intermetallic and other inorganic structures (types found exclusively with halides or oxides are only included for a few special cases). It provides a tool for additional crystal chemical studies and the development of new materials.

Contenu

1. Introduction.- 2. The Standardization of Crystal Structure Data.- 3. Crystal Chemical Characterization of Inorganic Structure Types.