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Title: Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18

Abstract

Reported herein are the synthesis and crystal chemistry analysis of the Zintl phase Sr21Cd4Sb18. Single crystals of this compound were grown using the Sn-flux method, and structural characterization was carried out using single-crystal X-ray diffraction. Crystal data: Monoclinic space group C2/m (No. 12, Z = 4); a = 18.2536(6) Å, b = 17.4018(5) Å, and c = 17.8979(6) Å, β = 92.024(1)°. The structure is based on edge- and corner-shared CdSb4 tetrahedra, which ultimately form octameric [Cd8Sb22] fragments, where two symmetry-equivalent subunits are connected via a homoatomic Sb–Sb interaction. The electronic band structure calculations contained herein reveal the emergence of a direct gap between the valence and the conduction bands.

Authors:
ORCiD logo; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
2216992
Grant/Contract Number:  
SC0008885
Resource Type:
Published Article
Journal Name:
Solids
Additional Journal Information:
Journal Name: Solids Journal Volume: 4 Journal Issue: 4; Journal ID: ISSN 2673-6497
Publisher:
MDPI AG
Country of Publication:
Country unknown/Code not available
Language:
English

Citation Formats

Ghosh, Kowsik, and Bobev, Svilen. Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18. Country unknown/Code not available: N. p., 2023. Web. doi:10.3390/solids4040022.
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Ghosh, Kowsik, & Bobev, Svilen. Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18. Country unknown/Code not available. https://doi.org/10.3390/solids4040022
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Ghosh, Kowsik, and Bobev, Svilen. Fri . "Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18". Country unknown/Code not available. https://doi.org/10.3390/solids4040022.
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@article{osti_2216992,
title = {Synthesis and Crystal and Electronic Structures of the Zintl Phase Sr21Cd4Sb18},
author = {Ghosh, Kowsik and Bobev, Svilen},
abstractNote = {Reported herein are the synthesis and crystal chemistry analysis of the Zintl phase Sr21Cd4Sb18. Single crystals of this compound were grown using the Sn-flux method, and structural characterization was carried out using single-crystal X-ray diffraction. Crystal data: Monoclinic space group C2/m (No. 12, Z = 4); a = 18.2536(6) Å, b = 17.4018(5) Å, and c = 17.8979(6) Å, β = 92.024(1)°. The structure is based on edge- and corner-shared CdSb4 tetrahedra, which ultimately form octameric [Cd8Sb22] fragments, where two symmetry-equivalent subunits are connected via a homoatomic Sb–Sb interaction. The electronic band structure calculations contained herein reveal the emergence of a direct gap between the valence and the conduction bands.},
doi = {10.3390/solids4040022},
journal = {Solids},
number = 4,
volume = 4,
place = {Country unknown/Code not available},
year = {Fri Nov 17 00:00:00 EST 2023},
month = {Fri Nov 17 00:00:00 EST 2023}
}
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https://doi.org/10.3390/solids4040022
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