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  • Crystal structure characterization and electronic structure of a rare-earth-containing Zintl phase in the Yb–Al–Sb family: Yb 3 AlSb 3
Title: Crystal structure characterization and electronic structure of a rare-earth-containing Zintl phase in the Yb–Al–Sb family: Yb 3 AlSb 3
A rare-earth-containing compound, ytterbium aluminium antimonide, Yb 3 AlSb 3 (Ca 3 AlAs 3 -type structure), has been successfully synthesized within the Yb–Al–Sb system through flux methods. According to the Zintl formalism, this structure is nominally made up of (Yb 2+ ) 3 [(Al 1− )( 1b – Sb 2− ) 2 ( 2b – Sb 1− )], where 1b and 2b indicate 1-bonded and 2-bonded, respectively, and Al is treated as part of the covalent anionic network. The crystal structure features infinite corner-sharing AlSb 4 tetrahedra, [AlSb 2 Sb 2/2 ] 6− , with Yb 2+ cations residing between the tetrahedra to provide charge balance. Herein, the synthetic conditions, the crystal structure determined from single-crystal X-ray diffraction data, and electronic structure calculations are reported.  more » « less
Award ID(s):
2001156 1709382
PAR ID:
10250592
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Acta Crystallographica Section C Structural Chemistry
Volume:
77
Issue:
6
ISSN:
2053-2296
Page Range / eLocation ID:
281 to 285
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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