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.
| Original language | English |
|---|---|
| Pages (from-to) | 310-315 |
| Number of pages | 6 |
| Journal | Journal of Solid State Chemistry |
| Volume | 175 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - Nov 2003 |
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ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry
- Materials Chemistry
Cite this
Ga-Ga bonding and tunnel framework in the new Zintl phase Ba 3Ga4Sb5 . / Park, Seon Mi; Kim, Sung Jin; Kanatzidis, Mercouri G.
In: Journal of Solid State Chemistry, Vol. 175, No. 2, 11.2003, p. 310-315.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Ga-Ga bonding and tunnel framework in the new Zintl phase Ba 3Ga4Sb5
AU - Park, Seon Mi
AU - Kim, Sung Jin
AU - Kanatzidis, Mercouri G
PY - 2003/11
Y1 - 2003/11
N2 - 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.
AB - 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.
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U2 - 10.1016/S0022-4596(03)00293-7
DO - 10.1016/S0022-4596(03)00293-7
M3 - Article
VL - 175
SP - 310
EP - 315
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
IS - 2
ER -