The structure of the layered perovskite-related system
La2
-
x
Sr
x
Cu1
-
y
Ru
y
O4
-
δ
was investigated by Rietveld
refinement calculations of X-ray diffraction data and EXAFS analysis of
the Ru−K and Cu−K absorption
edge. Both methods complement one another as they yield
information about long-range ordering and the
local environment of a specific element, respectively. Rietveld
calculations have revealed remarkable changes
of the interatomic distances with the composition, e.g., the degree of
elongation of the Cu/Ru−O6 octahedra.
To get more detailed information about the local structure we have
performed EXAFS studies for selected
samples with y = 0, 0.2, 0.4, 0.6, 0.8, and 1. We
were able to achieve consistent results both from the
Ru−K
and Cu−K edge data. As an element specific method, extended
X-ray absorption fine structure (EXAFS)
spectroscopy is capable of distinguishing between different possible
arrangements of the La/Sr and Cu/Ru
atoms. We found that La and Sr are distributed statistically on
the A cation position. For the B cations a
small enrichment of Cu in the Ru surrounding (and vice versa) could be
detected. For a given value of y this
enrichment increases with increasing La content. This indicates a
partial ordering of Ru and Cu within the
perovskite layers. Oxygen vacancies (δ > 0) were found to be
located exclusively in the Cu surrounding.
Coordination numbers less than 5 reveal that a part of the copper
ions is coordinated in a square planar way.
Distances derived from EXAFS and XRD data show a good agreement;
still, the former are usually smaller
by 0.01−0.03 Å. The distance Cu−La/Sr was found to be smaller
by 0.05 Å than the distance Ru−La/Sr.
Apart from this, no significant differences could be detected for
the distances between the various combinations
of elements.