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Computer generation of composite X‐ray powder patterns. A BESM‐6 FORTRAN program and its application to special problems of quantitative phase analysis
Author(s) -
FichtnerSchmittler H.,
Fichtner K.
Publication year - 1978
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19780130817
Subject(s) - fortran , schematic , diffractometer , computer program , representation (politics) , computer science , lattice (music) , crystallite , rietveld refinement , lattice constant , computational science , crystal structure , engineering drawing , crystallography , diffraction , optics , programming language , physics , chemistry , engineering , electronic engineering , politics , law , political science , acoustics
A computer program for the calculation and schematic representation of X‐ray diagrams of a polycrystalline substance or mixture of substances is outlined. The generation of X‐ray powder patterns is based on input data characterizing the crystal structures (lattice constants, atomic positions, etc.) and the features of the diagrams (diffractometer or Guinier type; line shape, resolution). Three examples illustrating the application of the program are discussed.