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TbNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Tb–Ni bond lengths are 2.97 Å. Ni is bonded to six equivalent Tb and six equivalent Ni atoms to form a mixture of face, edge, and corner-sharing NiTb6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å.
TbNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.81 Å) and twelve longer (3.13 Å) Tb–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 Tb and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.42 Å. In the second Ni site, Ni is bonded to four equivalent Tb and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiTb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.44 Å.
Tb2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.91–3.21 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.82–3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to three Tb and nine Ni atoms to form distorted NiTb3Ni9 cuboctahedra that share corners with fifteen NiTb2Ni10 cuboctahedra, edges with eight NiTb3Ni9 cuboctahedra, and faces with ten NiTb3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.40–2.60 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two Tb and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.70 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to one Tb and thirteen Ni atoms. There are one shorter (2.37 Å) and three longer (2.52 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded to two equivalent Tb and ten Ni atoms to form a mixture of edge, face, and corner-sharing NiTb2Ni10 cuboctahedra.
Tb3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Tb3Ni sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted water-like geometry to two equivalent Ni atoms. There are one shorter (2.76 Å) and one longer (2.84 Å) Tb–Ni bond lengths. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.74 Å) and one longer (2.82 Å) Tb–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Tb atoms.
TbNi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–2.93 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–2.95 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–2.90 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.61 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.64 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms.
TbNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.85–2.95 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.60 Å.
Tb3Ni2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Tb3Ni2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.03 Å. In the second Tb site, Tb 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) Tb–Ni bond lengths. In the third Tb site, Tb is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.80 Å) and two longer (2.88 Å) Tb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two Ni atoms. There are one shorter (2.63 Å) and one longer (2.65 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 7-coordinate geometry to seven Tb and one Ni atom.