LiYb2Cl5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent Cl(1) and four equivalent Cl(3) atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles are 39°. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Yb(1) atoms. In the second Cl site, Cl(2) is bonded to four equivalent Yb(1) atoms to form distorted edge-sharing ClYb4 tetrahedra. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Yb(1) atoms.
LiYb2Cl5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent Cl(1) and four equivalent Cl(3) atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles are 39°. Both Li(1)-Cl(1) bond lengths are 2.57 Å. There are two shorter (2.48 Å) and two longer (2.61 Å) Li(1)-Cl(3) bond lengths. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(3) atoms. There is one shorter (2.83 Å) and one longer (2.84 Å) Yb(1)-Cl(2) bond length. There are a spread of Yb(1)-Cl(1) bond distances ranging from 2.72-3.11 Å. There are a spread of Yb(1)-Cl(3) bond distances ranging from 2.80-3.06 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Yb(1) atoms. In the second Cl site, Cl(2) is bonded to four equivalent Yb(1) atoms to form distorted edge-sharing ClYb4 tetrahedra. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Yb(1) atoms.