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- W2040904775 abstract "A new family of quaternary fluoro-antimonides A5Cd2Sb5F (A = Sr, Ba, Eu) and oxyantimonides Ba5Cd2Sb5Ox (0.5<x<0.7) have been synthesized and structurally characterized. The title compounds are isotypic, and crystallize with a novel structure type in the orthorhombic space group Cmcm (Z = 4, Pearson symbol oC52). The crystal structures feature one-dimensional double-strands of corner-shared CdSb4 tetrahedra, [Cd2Sb5]9−. The arrangement of the chains is such that two of the unshared Sb vertices are close together to form a Sb–Sb bond, effectively making pentagonal quasi-channels. One of the five A2+ cations reside inside the tubes with the remaining four surrounding them. The electron balance is provided by O2− or F− anions, which fill suitable tetrahedral holes, left between the outer A2+ cations. The chemical bonding in the new family has been investigated using TB-LMTO-ASA band structure calculations, which suggest that the presence of the electron acceptor, oxygen or fluorine, is essential for optimization of the bonding interactions." @default.
- W2040904775 created "2016-06-24" @default.
- W2040904775 creator A5064811091 @default.
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- W2040904775 date "2010-01-01" @default.
- W2040904775 modified "2023-09-27" @default.
- W2040904775 title "Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5Ox (0.5<x<0.7)" @default.
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- W2040904775 doi "https://doi.org/10.1039/c0dt00595a" @default.
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