Accession Number : AD0712767

Title :   THE CONDITIONAL PROBABILITY DISTRIBUTION OF CRYSTAL STRUCTURE INVARIANTS.

Descriptive Note : Final rept.,

Corporate Author : NAVAL RESEARCH LAB WASHINGTON D C

Personal Author(s) : Fisher,Janet E. ; Hancock,J. Harrison ; Hauptman,Herbert A.

Report Date : 31 JUL 1970

Pagination or Media Count : 43

Abstract : New methods for solving complex noncentrosymmetric crystal structures have been developed at NRL. A vital part of the method involves evaluating the structure invariants cos(phi(sub vector h(sub 1)) + phi (sub vector h (sub 2)) + phi (sub vector h (sub 3))), where vectors ((h sub 1) + (h sub 2) + (h sub 3)) = 0, directly from the normalized structure factor amplitudes. The theoretical conditional probability distribution of cos(phi(sub vector h (sub 1)) + phi (sub vector h (sub 2)) + phi (sub vector h (sub 3))) and the theoretical expected values of the structure invariants are essential to this computation. This report tabulates the conditional distribution and the expectations. (Author)

Descriptors :   (*CRYSTAL STRUCTURE, IDENTIFICATION), VECTOR ANALYSIS, DISTRIBUTION THEORY, PHASE STUDIES, TABLES(DATA)

Subject Categories : Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE