Dimensionality Reducing from Three-dimensional RbLu<sub>5</sub>Te<sub>8</sub> to Two-dimensional CsMnGdTe3:Syntheses, Crystal and Electronic Structures

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摘要 Two new rare-earth metal chalcogenides, namely RbLu5Te8 and CsMnGdTe3, have been successfully synthesized under high-temperature solid-state reaction conditions and structurally characterized by single-crystal X-ray diffraction analysis. RbLu5Te8 belongs to the monoclinic space group C2/m (no. 12) with two formula units in a unit cell: a = 22.075(5), b = 4.2987(8), c = 10.588(2) Å, β = 103.89(2)°, V = 975.4(4) Å3, whereas CsMnGdTe3 crystallizes in the orthorhombic space group Cmcm (no. 63) with four formula units in a unit cell: a = 4.4872(8), b = 16.769(3), c = 11.807(2) Å and V = 888.4(3) Å3. In the structure of RbLu5Te8, face-, edge- and vertex-sharing [LuTe6] octahedra are interconnected to produce a three-dimensional (3D) framework with Rb+ lying in the tunnels. The crystal structure of CsMnGdTe3 consists of two-dimensional (2D) [MnGdTe3]– layers of edge- and vertex-sharing [GdTe6] octahedra with Mn atoms filling the tetrahedral interstices, which stack along the b-axis. The Cs atoms are located between the [MnGdTe3]– layers and surrounded by eight Te atoms to form a [CsTe8] bicapped trigonal prism. Moreover, theoretical studies have aided the understanding of their electronic structures.

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	张建汉
	周胜华
	林华

关键词 ： rare-earth telluride, structural dimension, high-temperature solid-state reaction, crystal structure, electronic structures

Abstract：Two new rare-earth metal chalcogenides, namely RbLu5Te8 and CsMnGdTe3, have been successfully synthesized under high-temperature solid-state reaction conditions and structurally characterized by single-crystal X-ray diffraction analysis. RbLu5Te8 belongs to the monoclinic space group C2/m (no. 12) with two formula units in a unit cell: a = 22.075(5), b = 4.2987(8), c = 10.588(2) Å, β = 103.89(2)°, V = 975.4(4) Å3, whereas CsMnGdTe3 crystallizes in the orthorhombic space group Cmcm (no. 63) with four formula units in a unit cell: a = 4.4872(8), b = 16.769(3), c = 11.807(2) Å and V = 888.4(3) Å3. In the structure of RbLu5Te8, face-, edge- and vertex-sharing [LuTe6] octahedra are interconnected to produce a three-dimensional (3D) framework with Rb+ lying in the tunnels. The crystal structure of CsMnGdTe3 consists of two-dimensional (2D) [MnGdTe3]– layers of edge- and vertex-sharing [GdTe6] octahedra with Mn atoms filling the tetrahedral interstices, which stack along the b-axis. The Cs atoms are located between the [MnGdTe3]– layers and surrounded by eight Te atoms to form a [CsTe8] bicapped trigonal prism. Moreover, theoretical studies have aided the understanding of their electronic structures.

Key words： rare-earth telluride structural dimension high-temperature solid-state reaction crystal structure electronic structures

收稿日期: 2020-01-02 出版日期: 2020-10-10

基金资助:This research was supported by the National Natural Science Foundation of China (21771179 and 21301175), the Natural Science Foundation of Fujian Province (2019J01133), the Foundation of State Key Laboratory of Structural Chemistry (20190033) and Distinguished Young Scientific Research Talents Plan in Universities of Fujian Province ([2018]47)

通讯作者: linhua@fjirsm.ac.cn E-mail: linhua@fjirsm.ac.cn

引用本文:

张建汉;周胜华;林华. Dimensionality Reducing from Three-dimensional RbLu₅Te₈ to Two-dimensional CsMnGdTe3:Syntheses, Crystal and Electronic Structures[J]. 结构化学, 2020, 39(10): 1770-1780.
ZHANG Jian-Han;ZHOU Sheng-Hua; LIN Hua. Dimensionality Reducing from Three-dimensional RbLu₅Te₈to Two-dimensional CsMnGdTe3:Syntheses, Crystal and Electronic Structures. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2020, 39(10): 1770-1780.

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http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2020/V39/I10/1770

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