Materials Data on Tm2Si3Pd by Materials Project

Abstract

Tm2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing TmSi8Pd4 cuboctahedra. There are two shorter (2.99 Å) and two longer (3.16 Å) Tm–Pd bond lengths. There are four shorter (3.00 Å) and four longer (3.12 Å) Tm–Si bond lengths. In the second Tm site, Tm is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing TmSi12 cuboctahedra. There are six shorter (3.03 Å) and six longer (3.05 Å) Tm–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent Si atoms. All Pd–Si bond lengths are 2.39 Å. Si is bonded in a 1-coordinate geometry to six Tm, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.34 Å.