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两种四元硫属化物:La(4)FeSb(2)Q(10)(Q = S,Se)的合成、晶体和电子结构以及物理性质。

Syntheses, crystal and electronic structures, and physical properties of two quaternary chalcogenides: La(4)FeSb(2)Q(10) (Q = S, Se).

机构信息

Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China.

出版信息

Inorg Chem. 2009 Dec 21;48(24):11518-24. doi: 10.1021/ic900784t.

DOI:10.1021/ic900784t
PMID:20000645
Abstract

Two new quaternary chalcogenides, La(4)FeSb(2)S(10) and La(4)FeSb(2)Se(10), have been synthesized from the stoichiometric mixture of elements by solid-state reactions at 1100 degrees C. The compounds crystallize in the orthorhombic space group Pbcm with a = 15.066(4) A, b = 7.590(2) A, c = 13.341(4) A, and Z = 4 and a = 15.596(5) A, b = 7.869(2) A, c = 13.960(4) A, and Z = 4, respectively. These structures represent an unique three-dimensional network, in which SbQ(3) trigonal pyramids (Sb-S < 2.60 A, Sb-Se < 2.80 A) are connected via a relatively weak Sb-Q bond (Sb-S approximately 2.90 A, Sb-Se approximately 3.00 A) in a novel teeter-totter (SbQ(4))(n) chain motif. The theoretical studies confirm the Sb-Q bonding interactions within such teeter-totter chains. Their optical band gaps are measured to be 1.00 and 0.85 eV. At room temperature, their electrical conductivities are about 10(-4) S/cm. Both compounds display antiferromagnetic interactions between Fe centers, and their effective magnetic moments are 5.25 and 6.17 micro(B), respectively.

摘要

两种新的四元碲(硫)属化合物 La(4)FeSb(2)S(10) 和 La(4)FeSb(2)Se(10) 是通过在 1100°C 下元素的等摩尔混合物的固态反应合成的。这些化合物在正交晶系 Pbcm 空间群中结晶,具有 a = 15.066(4) A、b = 7.590(2) A、c = 13.341(4) A 和 Z = 4 和 a = 15.596(5) A、b = 7.869(2) A、c = 13.960(4) A 和 Z = 4。这些结构代表了一个独特的三维网络,其中 SbQ(3) 三角锥形 (Sb-S < 2.60 A, Sb-Se < 2.80 A) 通过相对较弱的 Sb-Q 键 (Sb-S 约为 2.90 A, Sb-Se 约为 3.00 A) 在新型跷跷板 (SbQ(4))(n) 链型中连接。理论研究证实了此类跷跷板链中的 Sb-Q 键合相互作用。它们的光学带隙分别测量为 1.00 和 0.85 eV。在室温下,它们的电导率约为 10(-4) S/cm。这两种化合物都显示出 Fe 中心之间的反铁磁相互作用,它们的有效磁矩分别为 5.25 和 6.17 μB。

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