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Synthesis and Single Crystal Structure of RbEr_2Cu_3Se_5

Synthesis and Single Crystal Structure of RbEr_2Cu_3Se_5
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摘要 Single crystals of a new quaternary rare-earth selenide RbEr2Cu3Se5 have been isolated through the RbCl flux reaction in the RE-Cu-Se system. The title compound crystallizes in an orthorhombic system, space group Cmcm with a = 4.089(2), b = 14.498(6), c = 16.977(2) ? V = 1006.5(7) ?, Z = 4, Dc = 6.63 g/cm3, F(000) = 1720 and m(MoKa) = 45.51 mm-1. The final R = 0.0498 and wR = 0.0734 for 1401 observed reflections with I > 3s(I). The structure of RbEr2Cu3Se5 is a three-dimensional tunnel structure composed of ErSe6 and CuSe4 polyhedra with the charge-balanced Rb+ cations stuffing into the one-dimensional channels along the a direction. In the Er2RbCu3Se5 structure, the 1[Er2Se(1)4/2Se(2)2Se(3)4/2] double-octahedral chains are linked into a 2[Er2Cu2Se6] layer in the a-b plane via sharing Se(1)Se(3) edges with the 1[Cu(2)2Se(1)2Se(3)4/2] double tetrahedral chains, and 2[Er2Cu2Se6] layers are further interconnected along the c direction by sharing Se(1)Se(2) edges with the 1[Cu(1)Se(1)2Se(2)2/2] tetrahedral chains, forming a three-dimensional framework with the channels along the a axis accommodated by Rb+ ions. Single crystals of a new quaternary rare-earth selenide RbEr2Cu3Se5 have been isolated through the RbCl flux reaction in the RE-Cu-Se system. The title compound crystallizes in an orthorhombic system, space group Cmcm with a = 4.089(2), b = 14.498(6), c = 16.977(2) Angstrom, V = 1006.5(7) Angstrom(3), Z = 4, D-c = 6.63 g/cm(3), F(000) = 1720 and mu(MoKalpha) = 45.51 mm(-1). The final R = 0.0498 and wR = 0.0734 for 1401 observed reflections with I > 3 sigma(1). The structure of RbEr2Cu3Se5 is a three-dimensional tunnel structure composed of ErSe6 and CuSe4 polyhedra with the charge-balanced Rb+ cations stuffing into the one-dimensional channels along the a direction. In the Er2RbCu3Se5 structure, the (1)(infinity) [Er2Se(1)(4/2)SE(2)(2)Se(3)(4/2)] double-octahedral chains are linked into a (2)(infinity) [Er2Cu2Se6] layer in the a-b plane via sharing Se(1)-Se(3) edges with the (1)(infinity) [Cu(2)(2)Se(1)(2)Se(3)(4/2)] double tetrahedral chains, and (2)(infinity)[Er2CU2Se6] layers are further interconnected along the c direction by sharing Se(1)-Se(2) edges with the (1)(infinity) [Cu(1)Se(1)(2)Se(2)(2/2)] tetrahedral chains, forming a three-dimensional framework with the channels along the a axis accommodated by Rb+ ions.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2002年第5期497-500,共4页 结构化学(英文)
基金 Supported by the Director Fund of Fujian Institute of Research on the Structure of Matter (No. 200196)
关键词 稀土硫属化物 合成 晶体结构 RbEr2Cu3Se5 rare earth chalcogenides flux crystal structure
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参考文献14

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