Report of the Working Group on Crystal Phase Identifiers Academic Article uri icon

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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, Ian David
  • Abrahams, Sidney C
  • Berndt, Michael
  • Faber, John
  • Karen, Vicky L
  • Motherwell, WD Sam
  • Villars, Pierre
  • Westbrook, John D
  • McMahon, Brian

publication date

  • November 1, 2005