(left) Perspective view of the atomic distribution in the structural element: Mg (●), Cu (○), crystal axis (dash dot), Cu tetrahedron (short dash), as described in Ref. 18; (center) Basic structure unit cell of the type C15 crystal. Mg (●), Cu (○); (right) Perspective view of the atomic distribution of a crystal (as per Ref. 12): Ce (●), Ru (○) forming the vertex-sharing tetrahedra (dot), crystal axis (dash dot).
The lattice constant versus : calculations (solid); experimental data (●), values of end members from literature20 (◻).
Comparison of the random probabilities ’s (panel a) of the three configurations , , and of their sum versus with ’s (panel b), those obtained from experimental data.
average interatomic distances versus : calculations and experimental data of Ru:Ru (▿), Ru:Ce (▴); Ru:La (curve).17 ◻ are values of end members from Ref. 20. Vegard line (solid thin), virtual crystal approximation (VCA) curve (dashed).
Crystal lattice parameter and nearest-neighbor (NN) and next-nearest-neighbor (NNN) coordination numbers and interatomic distances for and .19,20
Lattice parameter and average interatomic Ru:Ru and Ru:Ce distances versus measured by Ru -edge EXAFS. The average uncertainty for the Ru–Ru distances is and for Ru–Ce is .
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