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Abstract: Four new isostructural rare earth manganese stannides, namely RE 3MnSn5−x (x=0.16(6), 0.29(1) for RE=Tm, x=0.05(8), 0.21(3) for RE=Lu), have been obtained by reacting the mixture of corresponding pure elements at high temperature. Single-crystal X-ray diffraction studies revealed that they crystallized in the orthorhombic space group Pnma (No. 62) with cell parameters of a=18.384(9)–18.495(6)Å, b=6.003(3)–6.062(2)Å, c=14.898(8)–14.976(4)Å, V=1644.3(14)–1679.0(9)Å3 and Z=8. Their structures belong to the Hf3Cr2Si4 type and feature a 3D framework composed of 1D [Mn2Sn7] chains interconnected by [Sn3] double chains via Sn–Sn bonds, forming 1D large channels based on [Mn4Sn16] 20-membered rings along the b-axis, which are occupied by the rare earth atoms. Electronic structure calculations based on density functional theory (DFT) for idealized “RE3MnSn5” model indicate that these compounds are metallic, which are in accordance with the results from temperature-dependent resistivity measurements. [ABSTRACT FROM AUTHOR]

Abstract: The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction studies. Yb5Ni4Sn10 adopts the Sc5Co4Si10 structure type and crystallizes in the tetragonal space group P4/mbm (No. 127) with cell parameters of a=13.785(4)Å, c=4.492 (2)Å, V=853.7(5)Å3, and Z=2. Yb7Ni4Sn13 is isostructural with Yb7Co4InGe12 and crystallizes in the tetragonal space group P4/m (No. 83) with cell parameters of a=11.1429(6)Å, c=4.5318(4)Å, V=562.69(7)Å3, and Z=1. Both structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are occupied by the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic. These results are in agreement with those from temperature-dependent resistivity and magnetic susceptibility measurements. [Copyright &y& Elsevier]

The title three compounds have been synthesized by solid state reactions at high temperatures, with excess indium as flux, and structurally characterized by single-crystal X-ray diffraction studies. Eu3Co2In15 forms a new structure type and crystallizes in the tetragonal space group P4/mbm (No. 127), whereas KM2In9 (M = Co, Ni) in the BaFe2Al9 type crystallizes in the hexagonal space group P6/mmm (No. 191). Their structures all feature a three- dimensional anionic framework based on 1 D [MIn6] single cluster chains composed of face-sharing [MIn9] clusters. in Eu3Co2In15, two adjacent [CoIn6] single cluster chains form a [Co2In11] double cluster chain via corner-sharing In atoms as well as In-In bonds; the latter chains are further interconnected by additional indium atoms via In-In bonds into a complicated 3D framework, forming two types of tunnels along the c-axis, which are filled by the europium atoms. In KM2In9, the [MIn6] single cluster chains are directly interconnected via corner sharing and exo In-In bonds into a 3D framework with the K+ ions encapsulated in the 1 D tunnels along the c-axis. Band structure calculations of three compounds based on density functional theory methods indicate that all three compounds are metallic. [ABSTRACT FROM AUTHOR]