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Acta Crystallogr A
; 61(Pt 6): 575-80, 2005 Nov.
Article
in English
| MEDLINE
| ID: mdl-16244407
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).