Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides AE3Ti8Bi10(AE = Sr, Ba, Eu)
Abstract
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 TiBi6 octahedra. 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.
- Publication Date:
- Research Org.:
- Univ. of Delaware, Newark, DE (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1595059
- Grant/Contract Number:
- SC0008885
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganic Chemistry
- Additional Journal Information:
- Journal Volume: 58; Journal Issue: 5; Journal ID: ISSN 0020-1669
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; bismuthides; crystal structure; electronic structure; metal-metal bonding; titanium
Citation Formats
Ovchinnikov, Alexander, and Bobev, Svilen. Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides AE3Ti8Bi10(AE = Sr, Ba, Eu). United States: N. p., 2018.
Web. doi:10.1021/acs.inorgchem.8b01952.
Ovchinnikov, Alexander, & Bobev, Svilen. Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides AE3Ti8Bi10(AE = Sr, Ba, Eu). United States. https://doi.org/10.1021/acs.inorgchem.8b01952
Ovchinnikov, Alexander, and Bobev, Svilen. Thu .
"Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides AE3Ti8Bi10(AE = Sr, Ba, Eu)". United States. https://doi.org/10.1021/acs.inorgchem.8b01952. https://www.osti.gov/servlets/purl/1595059.
@article{osti_1595059,
title = {Synthesis, and Crystal and Electronic Structures, of the Titanium-Rich Bismuthides AE3Ti8Bi10(AE = Sr, Ba, Eu)},
author = {Ovchinnikov, Alexander and Bobev, Svilen},
abstractNote = {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 TiBi6 octahedra. 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.},
doi = {10.1021/acs.inorgchem.8b01952},
journal = {Inorganic Chemistry},
number = 5,
volume = 58,
place = {United States},
year = {Thu Sep 13 00:00:00 EDT 2018},
month = {Thu Sep 13 00:00:00 EDT 2018}
}
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Works referencing / citing this record:
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