Materials Data on YbCu2Ni3 by Materials Project

Abstract

YbNi3Cu2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb is bonded in a distorted hexagonal planar geometry to twelve Ni and six equivalent Cu atoms. There are four shorter (3.13 Å) and eight longer (3.14 Å) Yb–Ni bond lengths. There are four shorter (2.80 Å) and two longer (2.81 Å) Yb–Cu bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Yb, four equivalent Ni, and four equivalent Cu atoms to form a mixture of corner, edge, and face-sharing NiYb4Cu4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. All Ni–Cu bond lengths are 2.43 Å. In the second Ni site, Ni is bonded to four equivalent Yb, four Ni, and four equivalent Cu atoms to form a mixture of corner, edge, and face-sharing NiYb4Cu4Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.42 Å. All Ni–Cu bond lengths are 2.43 Å. Cu is bonded in a 12-coordinate geometry to three equivalent Yb and six Ni atoms.