Bibliographic Details
| Title: |
Determination of the crystallographic structure of the new U6Fe5Al8Si9 compound |
| Authors: |
Zenou, V.Y.1,2, Fuks, D.1, Talianker, M.1 mital@bgu.ac.il |
| Source: |
Intermetallics. Dec2011, Vol. 19 Issue 12, p1930-1935. 6p. |
| Subjects: |
Molecular structure, Uranium compounds, Rietveld refinement, Intermetallic compounds, Transmission electron microscopy, X-ray diffraction, Crystallography, Density functionals |
| Abstract: |
Abstract: The crystal structure of a new quaternary U6Fe5Al8Si9 orthorhombic compound described by Immm space group was solved and refined on the basis of X-ray powder diffraction data. The unit cell parameters (a = 12.2407(2) Å, b = 18.3614(3) Å, c = 4.0662(1) Å) and the atomic coordinates were optimized through Rietveld refinement procedure with the reliability factors R p = 8.1%, Rb = 6.2% and R wp = 11.4%. Density Functional Theory calculations were used to distinguish between positions of Si and Al atoms in the final model of the structure. The positions of heavy atoms observed in high-resolution TEM-images fit their positions on the respective projections of the proposed structural model. [Copyright &y& Elsevier] |
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| Database: |
Engineering Source |