Synthesis, Crystal Structure and Band Structure of Eu_3Sn_5 with Arachno-type Zintl Anions

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A new polar intermetallic compound, Eu3Sn5, has been synthesized by solid-state reaction of the corresponding pure elements in a stoichiometric ratio in a welded tantalum tube at high temperature. Its crystal structure was established by single-crystal X-ray diffraction. Eu3Sn5 crystallizes in orthorhombic, space group Cmcm with a = 10.466(11), b = 8.445(8), c = 10.662(12) , V = 942.4(17) 3, Z = 4, Mr = 1049.33, Dc = 7.396 g/cm3, μ = 32.578 mm-1, F(000) = 1756, the final R = 0.0236 and wR = 0.0472 for 535 observed reflections with I > 2σ(I). Its structure belongs to the modified Pu3Pd5 type. It is isostructural with Sr3Sn5 and Ba3Sn5, featuring [Sn5] square pyramidal clusters described as “arachno” according to the Wade-Mingos electron counting rules. The europium cations are located at the voids between the square pyramidal clusters. Results of the extended Hückel band structure calculations indicate that Eu3Sn5 is metallic. A new polar intermetallic compound, Eu3Sn5, has been synthesized by solid-state reaction of the corresponding pure elements in a stoichiometric ratio in welded tantalum tube at high temperature. Its crystal structure was established by single-crystal X-ray diffraction. Eu3Sn5 crystallizes in orthorhombic space group Cmcm with a = 10.466 (11) b = 8.445 (8) c = 10.662 (12)  V = 942.4 (17) 3 Z = 4 Mr = 1049.33 Dc = 7.396 g / cm3, μ = 32.578 mm-1, F (000) = 1756, the final R = 0.0236 and wR = 0.0472 for 535 observed reflections with I> 2σ (I). Its structure belongs to the modified Pu3Pd5 type. It is isostructural with Sr3Sn5 and Ba3Sn5, featuring [Sn5] square pyramidal clusters described as “arachno ” according to the Wade-Mingos electron counting rules. The europium cations are located at the voids between the square pyramidal clusters. Results of the extended Hückel band structure ills indicate that that Eu3Sn5 is metallic.
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