Abstract
A method is presented for the calculation of analytical coefficients for scattering factors at mixed atom sites. The importance of the concept of compatible coefficients for the separate atoms is stressed and examples of the problems that can arise when trying to find coefficients for mixed atom sites are given. A computer program and its use are described. Two errors in International Tables for X-ray Crystallography [(1974). Vol. IV. Birmingham: Kynoch Press. (Present distributor D. Reidel, Dordrecht)] are noted, for Ru4+ and Bi5+, for which revised coefficients are given. For N, O- and Sr2+ analytical coefficients are given which fit the tabulated scattering factors significantly better than the coefficients in International Tables for X-ray Crystallography.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Acta Crystallographica Section A Foundations of Crystallography
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
