Materials Data on TbAl3Ag by Materials Project

TbAgAl3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Al atoms. There are two shorter (3.51 Å) and two longer (3.52 Å) Tb–Ag bond lengths. There are a spread of Tb–Al bond distances ranging from 3.21–3.53 Å. Ag is bonded to four equivalent Tb and eight Al atoms to form distorted AgTb4Al8 cuboctahedra that share corners with four equivalent AlTb4Al4Ag4 cuboctahedra, corners with twelve equivalent AgTb4Al8 cuboctahedra, edges with two equivalent AlTb4Al4Ag4 cuboctahedra, faces with four equivalent AgTb4Al8 cuboctahedra, and faces with four equivalent AlTb4Al4Ag4 cuboctahedra. There are a spread of Ag–Al bond distances ranging from 2.62–2.96 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb, four equivalent Ag, and four Al atoms to form AlTb4Al4Ag4 cuboctahedra that share corners with four equivalent AgTb4Al8 cuboctahedra, corners with twelve equivalent AlTb4Al4Ag4 cuboctahedra, edges with two equivalent AgTb4Al8 cuboctahedra, faces with four equivalent AgTb4Al8 cuboctahedra, and faces with four equivalent AlTb4Al4Ag4 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.63 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Ag, and three Al atoms. The Al–Al bond length is 2.48 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Ag, and three Al atoms.