| Syntheses,Structures and Band Gaps of KLnSiS4 （Ln = Sm,Yb） |
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| 引用本文： | GUO Sheng-Ping,;ZENG Hui-Yi,;GUO Guo-Cong,;ZOU Jian-Ping,;XU Gang,;HUANG Jin-Shun. Syntheses,Structures and Band Gaps of KLnSiS4 （Ln = Sm,Yb）[J]. 结构化学, 2008, 27(12): 1543-1548 |
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| 作者姓名： | GUO Sheng-Ping, ZENG Hui-Yi, GUO Guo-Cong, ZOU Jian-Ping, XU Gang, HUANG Jin-Shun |
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| 作者单位： | State Key Laboratory of Structural Chemistry，Fujian Institute of Research on the Structure of Matter，The Chinese Academy of Sciences，Graduate School of the Chinese Academy of Sciences |
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| 基金项目： | The project was supported by the NNSFC ， NSF for Distinguished Young Scientist of China ， NSF of Fujian Province ， the Fund of Fujian Key Laboratory of Nanomaterials |
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| 摘 要： | Two new quaternary sulfides, KSmSiS4 （1） and KYbSiS4 （2）, have been synthesized by high-temperature solid-state reaction. Single,crystal X-ray diffraction analyses indicate that both compounds crystallize in the space group P21/m, and the crystal data are as follows： a = 6.426（11）, b = 6.582（11）, c = 8.602（15）A, β= 107.90（13）°, Z = 2, V= 346.2（10） A^3, Dc = 3.317 g/cm^3, F（000） = 318,μ（MoKα） = 10.334 mm^-1, the final R = 0.0559 and wR = 0.1370 for 1; and α= 6.3244（10）, b = 6.5552（10）, c = 8.5701（15）A, β= 108.001（13）°, Z = 2, V = 337.91（9） A^3, De= 3.621 g/cm^3, F（000） = 334, μ（MoKα） = 15.737 mm^-1, the final R = 0.0422 and wR = 0.0960 for 2. The KLnSiS4 （Ln = Sm, Yb） structure consists of corrugated ∞^2 [LnSiS4]^- layers which are formed by edge-sharing LnS8 bicapped trigonal prisms and SiS4 tetrahedra. The K^＋ cations are located in the cavities defined by S2 anions between the ∞^2[LnSiS4]^- layers. Band-gap analyses show that compounds 1 and 2 are semiconductors with optical band-gaps of 2.40 and 2.34 eV, respectively.
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| 关 键 词： | 硫属化物 稀土 固态作用 晶体结构 |
Syntheses, Structures and Band Gaps of KLnSiS4 (Ln = Sm, Yb) |
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| GUO Sheng-Ping,ZENG Hui-Yi,GUO Guo-Cong,ZOU Jian-Ping,XU Gang,HUANG Jin-Shun. Syntheses, Structures and Band Gaps of KLnSiS4 (Ln = Sm, Yb)[J]. Chinese Journal of Structural Chemistry, 2008, 27(12): 1543-1548 |
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| Authors: | GUO Sheng-Ping ZENG Hui-Yi GUO Guo-Cong ZOU Jian-Ping XU Gang HUANG Jin-Shun |
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| Affiliation: | 1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou 350002, China;Graduate School of the Chinese Academy of Sciences, Beijing 100039, China
2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou 350002, China |
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| Abstract: | Two new quaternary sulfides, KSmSiS4 (1) and KYbSiS4 (2), have been synthesized by high-temperature solid-state reaction. Single-crystal X-ray diffraction analyses indicate that both compounds crystallize in the space group P21/m, and the crystal data are as follows: a = 6.426(11), b = 6.582(11), c = 8.602(15) (A), ( = 107.90(13)°, Z = 2, V = 346.2(10)(A)3, Dc = 3.317 g/cm3, F(000) = 318,μ(MoKα)= 10.334 mm-1, the final R = 0.0559 and wR = 0.1370 for 1; and a = 6.3244(10), b = 6.5552(10), c = 8.5701(15)(A), β= 108.001(13)°, Z = 2, V = 337.91(9)(A)3, Dc = 3.621 g/cm3, F(000) = 334, μ(MoKα)= 15.737 mm-1, the final R = 0.0422 and wR = 0.0960 for 2∞ 2.The KLnSiS4 (Ln = Sm, Yb) structure consists of corrugated 2∞[LnSiS4]-layers which are formed by edge-sharing LnS8 bicapped trigonal prisms and SiS4 tetrahedra. The K+ cations are located in the cavities defined by S2- anions between the2∞[LnSiS4]-layers. Band-gap analyses show that compounds 1 and 2 are semiconductors with optical band-gaps of 2.40 and 2.34 eV, respectively. |
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| Keywords: | chalcogenide rare-earth solid-state reaction crystal structure band gap |
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