Synthesis and Single Crystal Structure of RbEr2Cu3Se5

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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 from 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- 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 ab plane via sharing Se (1) Se (3) edges with the 1 [Cu (2) 2Se (1) 2Se (3) 4/2] 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.
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