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AIDED , a program for the automatic indexing of epitaxic derivatives; application to the graphite lamellar compounds
Author(s) -
Setton A.,
Setton R.
Publication year - 1979
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889879012097
Subject(s) - monoclinic crystal system , orthorhombic crystal system , graphite , lamellar structure , crystallography , hexagonal crystal system , materials science , value (mathematics) , crystal structure , computer science , chemistry , machine learning , composite material
An algorithm, suitable for small computers with low memory capacity, is presented and applied to the diffractograms of graphite lamellar compounds crystallizing in the hexagonal, orthorhombic or monoclinic systems. The basic input data consist of the Bragg angle θ and its uncertainty Δθ , and n , the ratio of graphite atoms to intercalated molecules. All possible lattices corresponding to a given value of n are investigated and means are also provided to explore lattices with 2 n , 3 n , etc . (centered lattices) or with a value for the parameter c equal to 2 I c , 3 I c , etc . (where I c is the so‐called identity period) should there exist a screw axis parallel to the c axis.