Materials Data on Nd2Si3Rh by Materials Project

Abstract

Nd2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve equivalent Si atoms to form NdSi12 cuboctahedra that share edges with twelve equivalent NdSi8Rh4 cuboctahedra and faces with eight NdSi12 cuboctahedra. There are six shorter (3.16 Å) and six longer (3.19 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing NdSi8Rh4 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.25 Å) Nd–Rh bond lengths. There are four shorter (3.13 Å) and four longer (3.21 Å) Nd–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Nd, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å.