Report of the working group on crystal phase identifiers

Acta Crystallogr A. 2005 Nov;61(Pt 6):575-80. doi: 10.1107/S010876730503179X. Epub 2005 Oct 22.

Abstract

The proposed crystalline phase identifier consists of a number of components (layers) describing enough properties of the phase to allow a unique identification. These layers consist of the chemical formula, a flag indicating the state of matter, the space-group number and the Wyckoff sequence. They are defined in such a way that they can be incorporated into the IUPAC International Chemical Identifier (InChI) proposed by the International Union of Pure and Applied Chemistry (IUPAC).