Refinement of Unit Cell Parameters by Least-Squares: Comments on an Old Technique and the Development of a New Computer Program
Abstract
The determination of unit cell parameters from (X-ray) diffraction data is integral to studies to new crystalline materials. The sensitivity of unit cell parameters to microscopic compositional variations leads to their wide use in the characterization of materials with potentially useful optical and/or electronic properties. Consequently, precise (and accurate) cell parameters are needed even for samples in which incorporation of an internal standard is not possible. To eliminate the requirement of an internal standard, a computer program has been developed that explicitly include refinement of possible systematic errors and geometric aberrations along with the refinement of the unit cell parameters.
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 01, 1993
- Accession Number
- ADA270610
Entities
People
- C. L. Lowe-ma
Organizations
- Naval Air Warfare Center Weapons Division