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Materials Data on TbInCo2 by Materials Project

TbCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Tb–Co bond distances ranging from 2.64–3.10 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to three equivalent Tb, four equivalent Co, and two equivalent In atoms. All Co–Co bond lengths are 2.46 Å. Both Co–In bond lengths are 2.74 Å. In the second Co site, Co is bonded to four equivalent Tb, six Co, and two equivalent In atoms to form a mixture of face, edge, and corner-sharing CoTb4In2Co6 cuboctahedra. Both Co–Co bond lengths are 2.52 Å. Both Co–In bond lengths are 2.80 Å. In is bonded in a 12-coordinate geometry to six equivalent Tb, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.33 Å.

36 MATERIALS SCIENCE↗

Materials Data on TbIn5Co by Materials Project

TbCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to eight In atoms. All Tb–In bond lengths are 3.12 Å. Co is bonded to twelve In atoms to form CoIn12 cuboctahedra that share corners with four equivalent CoIn12 cuboctahedra, faces with four equivalent CoIn12 cuboctahedra, and faces with four equivalent InIn8Co4 cuboctahedra. There are eight shorter (2.98 Å) and four longer (3.13 Å) Co–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded to four equivalent Co and eight In atoms to form InIn8Co4 cuboctahedra that share corners with four equivalent InIn8Co4 cuboctahedra, faces with four equivalent CoIn12 cuboctahedra, and faces with four equivalent InIn8Co4 cuboctahedra. All In–In bond lengths are 2.98 Å. In the second In site, In is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Co, and six In atoms. All In–In bond lengths are 3.13 Å. In the third In site, In is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Co, and six In atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbIn5Co by Materials Project

TbCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve In atoms to form TbIn12 cuboctahedra that share corners with four equivalent TbIn12 cuboctahedra, faces with four equivalent TbIn12 cuboctahedra, and faces with four equivalent InTb4In8 cuboctahedra. All Tb–In bond lengths are 3.25 Å. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.72 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven In atoms. There are one shorter (2.90 Å) and six longer (3.25 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Tb and eight equivalent In atoms to form distorted InTb4In8 cuboctahedra that share corners with four equivalent InTb4In8 cuboctahedra, faces with four equivalent TbIn12 cuboctahedra, and faces with four equivalent InTb4In8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Tb6InCo2 by Materials Project

Tb6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.79 Å) and one longer (3.23 Å) Tb–Co bond lengths. There are one shorter (3.09 Å) and one longer (3.34 Å) Tb–In bond lengths. In the second Tb site, Tb is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.92 Å) and one longer (3.22 Å) Tb–Co bond lengths. There are one shorter (3.25 Å) and one longer (3.66 Å) Tb–In bond lengths. In the third Tb site, Tb is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.75 Å) and two longer (2.88 Å) Tb–Co bond lengths. The Tb–In bond length is 3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Tb and one Co atom. The Co–Co bond length is 2.63 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Tb and one Co atom. The Co–Co bond length is 2.24 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Tb atoms. In the second In site, In is bonded in a body-centered cubic geometry to eight Tb atoms.

36 MATERIALS SCIENCE↗