Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides AE3Ti8Bi10(AE = Sr, Ba, Eu)

Ovchinnikov, Alexander; Bobev, Svilen

doi:10.1021/acs.inorgchem.8b01952

Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides AE₃Ti₈Bi₁₀(AE = Sr, Ba, Eu)

Journal Article · Thu Sep 13 00:00:00 EDT 2018 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.8b01952· OSTI ID:1595059

Ovchinnikov, Alexander ^[1]; ^[2]

Univ. of Delaware, Newark, DE (United States); University of Delaware
Univ. of Delaware, Newark, DE (United States)

Three isotypic compounds with the chemical formula AE₃Ti₈Bi₁₀ (AE = Sr, Ba, Eu) have been obtained via both high-temperature solid state and flux growth reactions. Their crystal structure, representing a new type (space group P6₃/mmc, Pearson symbol hP₄₂), features an open framework composed of interlinked TiBi₅ square pyramids and TiBi₆octahedra. The Ti–Bi substructure is penetrated by infinite columns of face-sharing AE₆ polyhedra centered by Bi atoms. First-principle calculations and physical property measurements indicate metallic behavior and absence of localized magnetic moments on the Ti atoms. Analysis of the chemical bonding reveals strong Ti–Bi and Ti–Ti bonds. Finally, the latter demonstrate classic two-center, as well as multicenter interactions.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Delaware, Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0008885

OSTI ID:: 1595059

Journal Information:: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 5 Vol. 58; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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