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YbNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Yb–Ni bond lengths are 2.90 Å. Ni is bonded to six equivalent Yb and six equivalent Ni atoms to form a mixture of face, edge, and corner-sharing NiYb6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å.
YbNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.78 Å) and twelve longer (3.11 Å) Yb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Yb and nine Ni atoms. There are six shorter (2.41 Å) and three longer (2.78 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to four equivalent Yb and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiYb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.41 Å.
Yb3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 2-coordinate geometry to three equivalent Ni atoms. There are a spread of Yb–Ni bond distances ranging from 2.79–3.41 Å. In the second Yb site, Yb is bonded in a bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.76 Å) and one longer (2.84 Å) Yb–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to eight Yb atoms.
Yb4Ni is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Yb4Ni clusters. Yb is bonded in a single-bond geometry to one Ni atom. The Yb–Ni bond length is 2.50 Å. Ni is bonded in a tetrahedral geometry to four equivalent Yb atoms.