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About 2 Al atoms at 3.09 Å and 4 Zn atoms at 3.08 Å are present in the second shell.
They found that nearly all EMI+ ions show a concentrated orientation in the first shell, i.e., parallel to the surface, but a nearly isotropic orientation in the second shell, as shown in Fig. 12c.
XANES analysis of spectra and extended X-ray absorption fine structure (EXAFS) data revealed that Mn was present in three different octahedral environments; one of them corresponded to the environment of Mn in the pyrolusite phase while the other two can be associated to Mn in ramsdellite-like environment and Mn in a octahedral site with Mn-vacancies in the second shell of coordination.
It has been found that the radius of the first coordination shell (metal oxygen) as well as a local disorder in the second shell (metal metal) around each of the 3d-metals are in a good agreement with obtained for superlattice model of [√3 × √3] R30° type in triangular lattice of sites by first principle calculation.
This is an important finding as it also influences ordering in the second shell as will be discussed in detail below.
The residence time of ions in the second shell flowing inwards is 2.5 times larger than the residence time of ions flowing outwards.
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In the actinoid elements the added electrons also go into an f orbital, in a similar manner but in the fifth shell instead.
The maximum in the first shell peaks of Fe O histogram shown in Fig. 6 were used for the Fe OII distances.
Anisotropy in the first shell responses results from the fact that the analysed microvolumes are not necessarily averaged for the responses of all crystal orientations in the aragonite.
However, refinement of bulk and microanalytical data provided indistinguishable interatomic distances and thermal vibration parameters in the third shell (indicative of Sr speciation).
Upon elastic loading, a small fraction of bonds in the first shell is broken in the loading direction whereas some new bonds are formed in the transverse direction.
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