Yb 5Ni 4Sn 10 and Yb 7Ni 4Sn 13: New polar intermetallics with 3D framework structures

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. Yb 5Ni 4Sn 10 adopts the Sc 5Co 4Si 10 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) Å 3, and Z=2. Yb 7Ni 4Sn 13 is isostructural with Yb 7Co 4InGe 12 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) Å 3, 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.