Report of the Working Group on Crystal Phase Identifiers
Open Access
- 22 October 2005
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section A Foundations of Crystallography
- Vol. 61 (6) , 575-580
- https://doi.org/10.1107/s010876730503179x
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).Keywords
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