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A new method of site occupancy analysis in substitutional mixed crystals by means of X‐ray crystal structure analysis (I). Pseudo lattice and superposition structure of a substitutional mixed crystal
Author(s) -
Zedler A.
Publication year - 1983
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170180804
Subject(s) - crystal structure , superposition principle , lattice (music) , lattice constant , crystallography , crystal (programming language) , chemistry , crystal system , materials science , physics , quantum mechanics , diffraction , computer science , acoustics , programming language
In Part I the nature of disorder in mixed crystal structures will be discussed on the basis of a pseudo lattice concept. A mixed crystal pseudo lattice applicable to all atomic positions of these mixed crystal structures will be defined, and the concept of a statistically globaldisordered ideal structure will be introduced. The structure factor for mixed crystal structures will be derived in consideration of the statistic disorder of position and sort of the atoms. The interpretation of the mixed crystal structure as a superposition structure requires the replacement of Vegard's rule by a new one having a wider range of validity.