ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Five cases, two of them acentric, in which the use of the method of systems of linear structure-factor equations facilitates the determination of the approximate structure are discussed. Starting from the atomic positions known in one projection, the method gives the values of the third coordinates using the data from only one level of reciprocal space, and proves successful especially in cases where projections along other axes turn out to be badly resolved due to overlapping. The method may also be used to distinguish between those maxima of a minimum function which correspond to atomic positions and those which do not. All calculations needed for this method can be performed on a small computer which is not sufficient for three-dimensional Fourier or least-squares calculations. On a large computer the computer time required for the method is about half the time needed for one least-squares cycle.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0567739471000068
