Crystal structure analysis and refinement from powder diffraction data by profile analysis and powls
Journal Article
·
· AIP Conf. Proc.; (United States)
The refinement of crystal structure from powder diffraction data is separated into two independent steps: Profile Fitting and Least Squares Analysis. The method has been applied to the refinement of several crystal structures and has given low R-values, for example R = 0.37%, 1.57% and 1.76% for silicon, corundum and quartz resp.
- Research Organization:
- Universitaet, Bonn, West Germany
- OSTI ID:
- 6384802
- Journal Information:
- AIP Conf. Proc.; (United States), Vol. 89
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
NEUTRON DIFFRACTION
DATA ANALYSIS
CORUNDUM
CRYSTAL STRUCTURE
LEAST SQUARE FIT
QUARTZ
SILICON
ALUMINIUM COMPOUNDS
ALUMINIUM OXIDES
CHALCOGENIDES
COHERENT SCATTERING
DIFFRACTION
ELEMENTS
MAXIMUM-LIKELIHOOD FIT
MINERALS
NUMERICAL SOLUTION
OXIDE MINERALS
OXIDES
OXYGEN COMPOUNDS
SCATTERING
SEMIMETALS
SILICON COMPOUNDS
SILICON OXIDES
440103* - Radiation Instrumentation- Nuclear Spectroscopic Instrumentation
NEUTRON DIFFRACTION
DATA ANALYSIS
CORUNDUM
CRYSTAL STRUCTURE
LEAST SQUARE FIT
QUARTZ
SILICON
ALUMINIUM COMPOUNDS
ALUMINIUM OXIDES
CHALCOGENIDES
COHERENT SCATTERING
DIFFRACTION
ELEMENTS
MAXIMUM-LIKELIHOOD FIT
MINERALS
NUMERICAL SOLUTION
OXIDE MINERALS
OXIDES
OXYGEN COMPOUNDS
SCATTERING
SEMIMETALS
SILICON COMPOUNDS
SILICON OXIDES
440103* - Radiation Instrumentation- Nuclear Spectroscopic Instrumentation