THE CONDITIONAL PROBABILITY DISTRIBUTION OF CRYSTAL STRUCTURE INVARIANTS.
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)
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 31, 1970
- Accession Number
- AD0712767
Entities
People
- Herbert A. Hauptman
- J. Harrison Hancock
- Janet E. Fisher
Organizations
- United States Naval Research Laboratory