scholarly journals Crystal Structure Refinement of SrMoO4, SrWO4, CaMoO4, and BaWO4 by Neutron Diffraction

1971 ◽  
Vol 55 (3) ◽  
pp. 1093-1097 ◽  
Author(s):  
Erdogan Gürmen ◽  
Eugene Daniels ◽  
J. S. King
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Structure Refinement ◽  
Crystal Structure Refinement

scholarly journals Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy

2009 ◽  
Vol 24 (4) ◽  
pp. 315-326 ◽  
Author(s):  
Husin Sitepu
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Crystal Structures ◽  
Spherical Harmonic ◽  
Structure Refinement ◽  
Preferred Orientation ◽  
Composition Analysis ◽  
Crystal Structure Refinement ◽  
Structural Refinement ◽  
Spherical Harmonic Models

Preferred orientation or texture is a common feature of experimental powder patterns. The mathematics of two commonly used models for preferred orientation—the March-Dollase and the generalized spherical-harmonic models—is reviewed. Both models were applied individually to neutron powder data from uniaxially pressed molybdite (MoO3) and calcite (CaCO3) powders in Rietveld analyses, as well as the as-received powders. The structural refinement results are compared to single-crystal structures. The results indicate that reasonable refinement of crystal structures can be obtained using either the March model or generalized spherical-harmonic description. However, the generalized spherical-harmonic description provided better Rietveld fits than the March model for the molybdite and calcite. Therefore, the generalized spherical-harmonic description is recommended for correction of preferred orientation in neutron diffraction analysis for both crystal structure refinement and phase composition analysis. Subsequently, the generalized spherical-harmonic description is extended to crystal structure refinement of annealed and the aged polycrystalline Ni-rich Ni50.7Ti49.30 shape memory alloys.

Crystal Structure Refinement of the Oxygen-rich RCuO2+δ(R=Y and La) Delafossite by Neutron Diffraction

1998 ◽  
pp. 395-398 ◽  
Author(s):  
Kazuyuki Isawa ◽  
Yuji Yaegashi ◽  
Seiya Ogota ◽  
Mitsugu Nagano ◽  
Shiroshi Sudo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Structure Refinement ◽  
Crystal Structure Refinement

scholarly journals Texture Analysis of Quartzite by Whole Pattern Deconvolution

1999 ◽  
Vol 33 (1-4) ◽  
pp. 139-149 ◽  
Author(s):  
S. Matthies ◽  
L. Lutterotti ◽  
K. Ullemeyer ◽  
H.-R. Wenk
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Texture Analysis ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
New Approach ◽  
Texture Information ◽  
Sphere Covering ◽  
Low Symmetry

The recently developed RITA concept combines algorithms of the Rietveld structure analysis with those from modern texture analysis in order to get texture information from d-spacing diffraction spectra. It is demonstrated for a low symmetry material (quartz) and a minimum pole sphere covering by the measured spectra. The quality of the results underlines the efficiency of this new approach especially for time-of-flight neutron diffraction studies where access to the beam is limited. New interesting aspects for crystal structure refinement are discussed.

Iron in kornerupine; a57Fe Moessbauer spectroscopic study and comparison with single-crystal structure refinement

1999 ◽  
Vol 84 (4) ◽  
pp. 536-549 ◽  
Author(s):  
Edward S. Grew ◽  
Guenther J. Redhammer ◽  
Georg Amthauer ◽  
Mark A. Cooper ◽  
Frank C. Hawthorne ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Spectroscopic Study ◽  
Structure Refinement ◽  
Single Crystal Structure ◽  
Crystal Structure Refinement
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