Accession Number : AD0612967

Title :   STRUCTURE-FACTOR AND LEAST-SQUARES EXPRESSIONS FOR CUBIC CRYSTAL SYSTEMS WITH ISOTROPIC VIBRATIONS,

Corporate Author : CALIFORNIA INST OF TECH PASADENA GATES AND CRELLIN LABS OF CHEMISTRY

Personal Author(s) : Webb,Ned C.

Report Date : 07 MAY 1963

Pagination or Media Count : 3

Abstract : A set of expressions is presented for calculating structure-factors and least-squares coefficients for cubic structures with isotropic temperature factors. These expressions have been utilized in programming the Burroughs 220 and IBM 7090 computers to perform structure-factor least-squares calculations for any cubic space group; to direct the course of calculations for a particular space group, only the space group number need be designated. The expressions complement those presented by Hybl and Marsh for the orthorhombic system.

Descriptors :   (*CRYSTALLOGRAPHY, LEAST SQUARES METHOD), (*LEAST SQUARES METHOD, CRYSTALLOGRAPHY), CRYSTAL STRUCTURE, CRYSTAL DEFECTS

Distribution Statement : APPROVED FOR PUBLIC RELEASE