Mixed cations and structural complexity in (Eu1-xCa x)4In3Ge4 and (Eu 1-xCax)3In2Ge3-the first two members of the homologous series A2[n+m]In2n+mGe 2[n+m] (n, m = 1, 2,.A = Ca, Sr, Ba, Eu, or Yb)

Inorganic Chemistry

Volumn 49, Issue 4, 2010, Pages 1773-1783

  You, Tae Soo ^a   Tobash, Paul H ^a   Bobev, Svilen ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77249104993     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic902144h     Document Type: Article

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62. A different way of describing this structure is through a structural transformation from a hypothetical (Eu1-xCax)4In3Ge4 of the TiNiSi type, using the same imaginary cutting and pasting procedure, applied for the closely related Ba3Cd2Sb4 structure (ref 47). This idea is depicted schematically in Figure S1 in the Supporting Information. Another parallel can be drawn with the recently reportedM4Co2Mg3 (M=Nd and Sm), which is a 1:3 intergrowth of MCo2 and MMg slabs, with the AlB2 and the CsCl structure types, respectively. In this case too, MCo2 does not exist on its own and is stabilized by three MMgslabs. This structure resembles the " 4-3-4" phase in terms of the arrangement of two structural segments-replacing two of the MMg's with a MMgCo slab adopting the TiNiSi-type structure, we can also obtain the " 4-3-4" phase QVAL is calculated from the sum of the integrated electron densities within each WS sphere for atoms, and it approximates the valence electron number for each atomic site. It only approximates the number of valence electrons for each atomic site. Therefore, QVAL can solely be used for the comparison between different model structures or between different atomic sites, but not for determining the exact number of valence electrons in each orbital.
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