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Materials Data on TbBi3 by Materials Project

TbBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Bi atoms to form a mixture of face, edge, and corner-sharing TbBi12 cuboctahedra. There are four shorter (3.31 Å) and eight longer (3.62 Å) Tb–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 12-coordinate geometry to four equivalent Tb and eight Bi atoms. There are four shorter (3.31 Å) and four longer (3.62 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Tb and eight equivalent Bi atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbBi3 by Materials Project

TbBi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Bi atoms to form a mixture of face and corner-sharing TbBi12 cuboctahedra. There are six shorter (3.42 Å) and six longer (3.58 Å) Tb–Bi bond lengths. Bi is bonded in a 4-coordinate geometry to four equivalent Tb atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbBi3 by Materials Project

TbBi2Bi crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two bismuth molecules and one TbBi2 sheet oriented in the (0, 0, 1) direction. In the TbBi2 sheet, Tb is bonded in a distorted rectangular see-saw-like geometry to four equivalent Bi atoms. All Tb–Bi bond lengths are 3.06 Å. Bi is bonded in a linear geometry to two equivalent Tb atoms.

36 MATERIALS SCIENCE↗