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HoNi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.85–2.91 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Ho and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.54 Å.
HoNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.80 Å) and twelve longer (3.13 Å) Ho–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ho and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiHo4Ni8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.43 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.
HoNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.83–3.07 Å. In the second Ho site, Ho is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.85 Å) and twelve longer (3.17 Å) Ho–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Ho and seven Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiHo5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.50 Å. In the second Ni site, Ni is bonded to six equivalent Ho and six equivalent Ni atoms to form NiHo6Ni6 cuboctahedra that share corners with twelve equivalent NiHo5Ni7 cuboctahedra, edges with six equivalent NiHo6Ni6 cuboctahedra, and faces with eighteen equivalent NiHo5Ni7 cuboctahedra. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.
HoNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Ho–Ni bond lengths are 2.96 Å. Ni is bonded to six equivalent Ho and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiHo6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å.
Ho3Ni2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in an octahedral geometry to six equivalent Ni atoms. All Ho–Ni bond lengths are 2.90 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are three shorter (2.75 Å) and three longer (2.90 Å) Ho–Ni bond lengths. In the third Ho site, Ho is bonded in a 5-coordinate geometry to five equivalent Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.81–3.30 Å. Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.53 Å.
Ho4Ni is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Ho4Ni clusters. Ho is bonded in a single-bond geometry to one Ni atom. The Ho–Ni bond length is 2.51 Å. Ni is bonded in a tetrahedral geometry to four equivalent Ho atoms.
Ho3Ni2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ho3Ni2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.80–2.99 Å. In the second Ho site, Ho is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms. There are two shorter (2.76 Å) and one longer (2.77 Å) Ho–Ni bond lengths. In the third Ho site, Ho is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.79 Å) and two longer (2.87 Å) Ho–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Ho and two Ni atoms. There are one shorter (2.60 Å) and one longer (2.61 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 7-coordinate geometry to seven Ho and one Ni atom.