论文信息 - Report of the working group on crystal phase identifiers.

Report of the working group on crystal phase identifiers.

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).

[1] Nomenclature of magnetic, incommensurate, composition-changed morphotropic, polytype, transient-structural and quasicrystalline phases undergoing phase transitions. II. Report of an IUCr Working Group on Phase Transition Nomenclature. , 2002 .

[2] E. Parthé,et al. The 'best' unit cell for monoclinic structures consistent with b axis unique and cell choice 1 ofInternational Tables for Crystallography (1983) , 1985 .

[3] E. Parthé,et al. STRUCTURE TIDY– a computer program to standardize crystal structure data , 1987 .

[4] V. Koptsik,et al. Report of a subcommittee on the nomenclature of n-dimensional crystallography. II. Symbols for arithmetic crystal classes, Bravais classes and space groups. , 2002, Acta crystallographica. Section A, Foundations of crystallography.

[5] K. Nassau,et al. Phase transition at 434 K, independent strain coupling in second transition at 400 K, and thermal expansivity in ferroelastic K2TeBr6 , 1984 .

[6] E. Parthé,et al. The standardization of inorganic crystal-structure data , 1984 .

[7] Jerry Donohue. The structures of the elements , 1974 .

[8] 良二上田. J. Appl. Cryst.の発刊に際して , 1970 .