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Materials Data on TbInNi by Materials Project

TbNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.95 Å) and one longer (3.08 Å) Tb–Ni bond lengths. There are two shorter (3.14 Å) and four longer (3.29 Å) Tb–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Ni–In bond lengths are 2.69 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Ni–In bond lengths are 2.84 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbIn2Ni by Materials Project

TbNiIn2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 1-coordinate geometry to three equivalent Ni and ten In atoms. There are a spread of Tb–Ni bond distances ranging from 2.96–3.15 Å. There are a spread of Tb–In bond distances ranging from 3.20–3.45 Å. In the second Tb site, Tb is bonded in a 1-coordinate geometry to three equivalent Ni and ten In atoms. There are a spread of Tb–Ni bond distances ranging from 2.97–3.14 Å. There are a spread of Tb–In bond distances ranging from 3.20–3.45 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six In atoms. There are a spread of Ni–In bond distances ranging from 2.68–2.74 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six In atoms. There are a spread of Ni–In bond distances ranging from 2.68–2.74 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to five Tb, three Ni, and four In atoms. There are a spread of In–In bond distances ranging from 2.97–3.22 Å. In the second In site, In is bonded in a 12-coordinate geometry to five Tb, three Ni, and four In atoms. There are a spread of In–In bond distances ranging from 3.09–3.21 Å. In the third In site, In is bonded in a 12-coordinate geometry to five Tb, three Ni, and four In atoms. The In–In bond length is 2.97 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to five Tb, three Ni, and four In atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb2InNi2 by Materials Project

Tb2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.83 Å) and two longer (2.93 Å) Tb–Ni bond lengths. All Tb–In bond lengths are 3.33 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.45 Å. The Ni–In bond length is 2.84 Å. In is bonded in a distorted q6 geometry to eight equivalent Tb and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb5(In2Ni)2 by Materials Project

Tb5(NiIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.24 Å) and four longer (3.34 Å) Tb–In bond lengths. In the second Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. There are two shorter (2.92 Å) and two longer (2.95 Å) Tb–Ni bond lengths. There are a spread of Tb–In bond distances ranging from 3.26–3.38 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Tb–Ni bond lengths are 2.77 Å. There are a spread of Tb–In bond distances ranging from 3.19–3.45 Å. Ni is bonded in a 6-coordinate geometry to six Tb and two In atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Ni–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Tb and one Ni atom. In the second In site, In is bonded in a 9-coordinate geometry to eight Tb and one Ni atom.

36 MATERIALS SCIENCE↗

Materials Data on Tb2InNi2 by Materials Project

Tb2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.84 Å) and four longer (2.87 Å) Tb–Ni bond lengths. All Tb–In bond lengths are 3.29 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.47 Å. Both Ni–In bond lengths are 2.97 Å. In is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of corner and face-sharing InTb8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗