Cs2YCl5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. Y(1) is bonded to one Cl(1), one Cl(3), two equivalent Cl(2), and two equivalent Cl(4) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Y(1) atom to form a mixture of distorted edge and corner-sharing ClCs4Y trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Y(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Y(1) atom to form a mixture of distorted edge and corner-sharing ClCs4Y square pyramids. In the fourth Cl site, Cl(4) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Y(1) atoms.
Cs2YCl5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. There is one shorter (3.58 Å) and one longer (3.82 Å) Cs(1)-Cl(1) bond length. Both Cs(1)-Cl(3) bond lengths are 3.77 Å. Both Cs(1)-Cl(4) bond lengths are 3.92 Å. There are two shorter (3.61 Å) and two longer (3.72 Å) Cs(1)-Cl(2) bond lengths. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. Both Cs(2)-Cl(1) bond lengths are 3.75 Å. There is one shorter (3.48 Å) and one longer (3.55 Å) Cs(2)-Cl(3) bond length. Both Cs(2)-Cl(4) bond lengths are 3.75 Å. There are two shorter (3.66 Å) and two longer (3.76 Å) Cs(2)-Cl(2) bond lengths. Y(1) is bonded to one Cl(1), one Cl(3), two equivalent Cl(2), and two equivalent Cl(4) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedra are not tilted. The Y(1)-Cl(1) bond length is 2.59 Å. The Y(1)-Cl(3) bond length is 2.64 Å. Both Y(1)-Cl(2) bond lengths are 2.57 Å. Both Y(1)-Cl(4) bond lengths are 2.74 Å. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Y(1) atom to form a mixture of distorted edge and corner-sharing ClCs4Y trigonal bipyramids. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Y(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one Y(1) atom to form a mixture of distorted edge and corner-sharing ClCs4Y square pyramids. In the fourth Cl site, Cl(4) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Y(1) atoms.