Abstract
A new Zintl phase Ba4In8Sb16 was obtained from a direct element combination reaction of the elements in a sealed graphite tube at 700°C, and its structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the orthorhombic space group Pnma (No. 62) with a = 10.166(3) Å, b = 4.5239(14) Å, c = 19.495(6) Å, and Z = 1. Ba4In8Sb16 has a two-dimensional structure with thick corrugated (In8Sb16)8- layers separated by Ba2+ ions. In the layer, InSb4 tetrahedra are connected by sharing three corners and by bridging the fourth corner in such a manner that infinite pentagonal tubes are formed. The compound is a narrow band gap (∼ 0.10 eV) semiconductor and satisfies the classical Zintl rule. Band structure calculations confirm that the material is a semiconductor and indicate that it has optimized In-Sb bonding interactions. Polycrystalline ingots of Ba4In8Sb16 show room-temperature electrical conductivity of 135 S/cm and a Seebeck coefficient of 70 μV/K. The thermal conductivity of Ba4In8Sb16 is about 1.7 W/m·K in the temperature range 150-300 K.
Original language | English |
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Pages (from-to) | 3154-3159 |
Number of pages | 6 |
Journal | Chemistry of Materials |
Volume | 11 |
Issue number | 11 |
DOIs | |
Publication status | Published - Jan 1 1999 |
ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)
- Materials Chemistry