BaYCl5 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to one Cl(3), two equivalent Cl(1), and four equivalent Cl(2) atoms to form BaCl7 pentagonal bipyramids that share corners with four equivalent Y(1)Cl6 octahedra, edges with two equivalent Y(1)Cl6 octahedra, and edges with two equivalent Ba(1)Cl7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 2-38°. Y(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form YCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with four equivalent Ba(1)Cl7 pentagonal bipyramids, and edges with two equivalent Ba(1)Cl7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 29°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to one Ba(1) and one Y(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Y(1) atoms.
BaYCl5 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to one Cl(3), two equivalent Cl(1), and four equivalent Cl(2) atoms to form BaCl7 pentagonal bipyramids that share corners with four equivalent Y(1)Cl6 octahedra, edges with two equivalent Y(1)Cl6 octahedra, and edges with two equivalent Ba(1)Cl7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 2-38°. The Ba(1)-Cl(3) bond length is 3.28 Å. Both Ba(1)-Cl(1) bond lengths are 3.06 Å. There are two shorter (3.18 Å) and two longer (3.25 Å) Ba(1)-Cl(2) bond lengths. Y(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form YCl6 octahedra that share corners with two equivalent Y(1)Cl6 octahedra, corners with four equivalent Ba(1)Cl7 pentagonal bipyramids, and edges with two equivalent Ba(1)Cl7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 29°. Both Y(1)-Cl(1) bond lengths are 2.61 Å. Both Y(1)-Cl(2) bond lengths are 2.67 Å. Both Y(1)-Cl(3) bond lengths are 2.71 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to one Ba(1) and one Y(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Y(1) atoms.