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- W2076405487 abstract "Abstract The new ternary phase Ba 5 In 4 Bi 5 was synthesized by direct reaction of the corresponding elements at high temperature. It crystallizes in a noncentrosymmetric space group and represents a new structure type (tetragonal, P 4 nc with a =10.620(2) and c =9.009(2) Å, Z =2). The structure is built of interconnected heteroatomic clusters of In 4 Bi 5 , square pyramids with In 4 ‐bases and four exo ‐bonded bismuth atoms (bond to the In atoms). According to Wade's rule the compound is electron‐deficient with one electron per cluster, that is, [In 4 Bi 5 ] 10− instead of the expected [In 4 Bi 5 ] 11− for a closed‐shell species. The clusters are discussed also in light of the known heteroatomic deltahedral clusters with the same composition but different charge, [In 4 Bi 5 ] 3− . Band structure calculations on the new compound suggest substantial participation of barium in the overall bonding of the structure that “accounts” for the electron shortage" @default.
- W2076405487 created "2016-06-24" @default.
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- W2076405487 date "2004-07-22" @default.
- W2076405487 modified "2023-10-11" @default.
- W2076405487 title "Synthesis, Characterization, and Electronic Structure of Ba5In4Bi5: An Acentric and One-Electron Deficient Phase" @default.
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- W2076405487 doi "https://doi.org/10.1002/chem.200306061" @default.
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