Crystal Structure, Electronic Structure, and Physical Properties of Two New Antimonide-Tellurides: ZrSbTe and HfSbTe
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- 作者：Navid Soheilnia ; Katja M. Kleinke ; Holger Kleinke
- 刊名：Chemistry of Materials
- 出版年：2007
- 出版时间：March 20, 2007
- 年：2007
- 卷：19
- 期：6
- 页码：1482 - 1488
- 全文大小：248K
- 年卷期：v.19,no.6(March 20, 2007)
- ISSN：1520-5002
文摘
The isostructural title compounds were prepared from the elements in the stoichiometric ratio at 700
C under exclusion of air. ZrSbTe and HfSbTe crystallize in the orthorhombic space group Immm, NbPStype, Z = 4, with a = 3.91171(6) Å, b = 5.80593(8) Å, c = 13.4630(3) Å, V = 305.760(6) Å3 forZrSbTe, and a = 3.86757(8) Å, b = 5.75115(9) Å, c = 13.4422(3) Å, V = 298.995(6) Å3 for HfSbTe.The transition metal atoms are surrounded by four Sb and four Te atoms in the form of a bicappedtrigonal prism. Two such prisms are joined via the third rectangular face, yielding a metal-metal bondacross this face. The structures bestow with their unusual rectangular planar Sb layers exhibitingnonclassical Sb-Sb bonding. The distortion within the layers, reflected in the formation of alternatingSb-Sb distances along the b-axis, occurs with the formation of a band gap within the Sb bands. However,both compounds are metallic conductors with a small Seebeck coefficient, a consequence of a partialoverlap of metal and Te states caused by the metal-metal bond.
C under exclusion of air. ZrSbTe and HfSbTe crystallize in the orthorhombic space group Immm, NbPStype, Z = 4, with a = 3.91171(6) Å, b = 5.80593(8) Å, c = 13.4630(3) Å, V = 305.760(6) Å3 forZrSbTe, and a = 3.86757(8) Å, b = 5.75115(9) Å, c = 13.4422(3) Å, V = 298.995(6) Å3 for HfSbTe.The transition metal atoms are surrounded by four Sb and four Te atoms in the form of a bicappedtrigonal prism. Two such prisms are joined via the third rectangular face, yielding a metal-metal bondacross this face. The structures bestow with their unusual rectangular planar Sb layers exhibitingnonclassical Sb-Sb bonding. The distortion within the layers, reflected in the formation of alternatingSb-Sb distances along the b-axis, occurs with the formation of a band gap within the Sb bands. However,both compounds are metallic conductors with a small Seebeck coefficient, a consequence of a partialoverlap of metal and Te states caused by the metal-metal bond.