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Report of the Working Group on Crystal Phase...
Journal article

Report of the Working Group on Crystal Phase Identifiers

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).

Authors

Brown ID; Abrahams SC; Berndt M; Faber J; Karen VL; Motherwell WDS; Villars P; Westbrook JD; McMahon B

Journal

Acta Crystallographica Section A: Foundations and advances, Vol. 61, No. 6, pp. 575–580

Publisher

International Union of Crystallography (IUCr)

Publication Date

November 1, 2005

DOI

10.1107/s010876730503179x

ISSN

0108-7673

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