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Ga-Ga bonding and tunnel framework in the new Zintl phase Ba 3Ga4Sb5

Title
Ga-Ga bonding and tunnel framework in the new Zintl phase Ba 3Ga4Sb5
Authors
Park S.-M.Kim S.-J.Kanatzidis M.G.
Ewha Authors
김성진
SCOPUS Author ID
김성진scopus
Issue Date
2003
Journal Title
Journal of Solid State Chemistry
ISSN
0022-4596JCR Link
Citation
vol. 175, no. 2, pp. 310 - 315
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
A new Zintl phase Ba3Ga4Sb5 was obtained from the reaction of Ba and Sb in excess Ga flux at 1000°C, and its structure was determined with single-crystal X-ray diffraction methods. It crystallizes in the orthorhombic space group Pnma (No. 62) with a=13.248(3)Å, b=4.5085(9)Å, c=24.374(5)Å and Z=4. Ba 3Ga4Sb5 has a three-dimensional [Ga 4Sb5]6- framework featuring large tunnels running along the b-axis and accommodating the Ba ions. The structure also has small tube-like tunnels of pentagonal and rhombic cross-sections. The structure contains ethane-like dimeric Sb3Ga-GaSb3 units and GaSb4 tetrahedra that are connected to form 12- and 14-membered tunnels. Band structure calculations confirm that the material is a semiconductor and indicate that the structure is stabilized by strong Ga-Ga covalent bonding interactions. © 2003 Elsevier Inc. All rights reserved.
DOI
10.1016/S0022-4596(03)00293-7
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자연과학대학 > 화학·나노과학전공 > Journal papers
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