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 |
|---|---|
| Pages (from-to) | 3154-3159 |
| Number of pages | 6 |
| Journal | Chemistry of Materials |
| Volume | 11 |
| Issue number | 11 |
| Publication status | Published - 1999 |
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ASJC Scopus subject areas
- Materials Chemistry
- Materials Science(all)
Cite this
Ba4in8Sb16 : Thermoelectric properties of a new layered zintl phase with infinite Zigzag Sb chains and pentagonal tubes. / Kanatzidis, Mercouri G.
In: Chemistry of Materials, Vol. 11, No. 11, 1999, p. 3154-3159.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Ba4in8Sb16
T2 - Thermoelectric properties of a new layered zintl phase with infinite Zigzag Sb chains and pentagonal tubes
AU - Kanatzidis, Mercouri G
PY - 1999
Y1 - 1999
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=18644381342&partnerID=8YFLogxK
M3 - Article
VL - 11
SP - 3154
EP - 3159
JO - Chemistry of Materials
JF - Chemistry of Materials
SN - 0897-4756
IS - 11
ER -