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钡 3 镧铟硫六（Ln = 镨、钐、钆、镱）和钡 2 镧镓硫五（Ln = 镨、钕）：合成、结构、磁性和光学性质。

Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): syntheses, structures, and magnetic and optical properties.

机构信息

Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

出版信息

Inorg Chem. 2012 Oct 15;51(20):11144-9. doi: 10.1021/ic301750x. Epub 2012 Sep 28.

DOI:10.1021/ic301750x
PMID:23020163
Abstract

Six new quaternary rare-earth sulfides Ba(3)LnInS(6) (Ln = Pr, Sm, Gd, Yb) and Ba(2)LnGaS(5) (Ln = Pr, Nd) have been synthesized for the first time. Ba(3)LnInS(6) (Ln = Pr, Sm, Gd, Yb) belong to the centrosymmetric space group R3[overline]c of the trigonal system. The structures contain infinite one-dimensional anionic chains (1)(∞)LnInS(6), which are built from face-sharing LnS(6) distorted triangular prisms and InS(6) octahedra. Ba(2)LnGaS(5) (Ln = Pr, Nd) crystallize in the centrosymmetric space group I4/mcm of the tetragonal system. Their structures consist of (BaLn)S layers built from (BaLn)S(8) bicapped trigonal prisms. These layers are stacked perpendicular to the c axis and further connected by GaS(4) tetrahedra to form a three-dimensional framework with channels occupied by Ba(2+) cations. As deduced from magnetic susceptibility measurements on Ba(2)NdGaS(5), it is paramagnetic and obeys the Curie-Weiss law. Besides, the band gap of Ba(2)NdGaS(5) is determined to be about 2.12(2) eV.

摘要

首次合成了六种新的四元稀土硫化物 Ba(3)LnInS(6)（Ln = Pr、Sm、Gd、Yb）和 Ba(2)LnGaS(5)（Ln = Pr、Nd）。Ba(3)LnInS(6)（Ln = Pr、Sm、Gd、Yb）属于三方晶系的中心对称空间群 R3[overline]c。结构中包含无限一维阴离子链（1）（∞）[LnInS(6)]（6-），由共面共享的 LnS(6)扭曲三角棱柱和 InS(6)八面体组成。Ba(2)LnGaS(5)（Ln = Pr、Nd）在四方晶系的中心对称空间群 I4/mcm 中结晶。它们的结构由（BaLn）S 层组成，这些层由（BaLn）S(8)双帽三角棱柱组成。这些层垂直于 c 轴堆积，并进一步由 GaS(4)四面体连接，形成具有由 Ba(2+)阳离子占据的通道的三维框架。根据对 Ba(2)NdGaS(5)的磁化率测量，它是顺磁的，符合居里-外斯定律。此外，Ba(2)NdGaS(5)的能带隙约为 2.12(2) eV。

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