BaY3Cl11 crystallizes in the orthorhombic Pmma space group. Ba(1) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(1), and four equivalent Cl(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Cl(2), one Cl(3), one Cl(5), one Cl(6), and two equivalent Cl(4) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. In the second Y site, Y(2) is bonded to two equivalent Cl(6), two equivalent Cl(7), and two equivalent Cl(8) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Ba(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and two equivalent Y(1) atoms. In the fourth Cl site, Cl(4) is bonded in a linear geometry to two equivalent Y(1) atoms. In the fifth Cl site, Cl(5) is bonded in a bent 150 degrees geometry to two equivalent Y(1) atoms. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(2) atom. In the seventh Cl site, Cl(7) is bonded in a bent 150 degrees geometry to two equivalent Y(2) atoms. In the eighth Cl site, Cl(8) is bonded in a linear geometry to two equivalent Y(2) atoms. In the ninth Cl site, Cl(8) is bonded in a linear geometry to two equivalent Y(2) atoms.
BaY3Cl11 crystallizes in the orthorhombic Pmma space group. Ba(1) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(1), and four equivalent Cl(2) atoms. The Ba(1)-Cl(3) bond length is 3.64 Å. Both Ba(1)-Cl(1) bond lengths are 2.87 Å. There are two shorter (3.12 Å) and two longer (3.40 Å) Ba(1)-Cl(2) bond lengths. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Cl(2), one Cl(3), one Cl(5), one Cl(6), and two equivalent Cl(4) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. The Y(1)-Cl(2) bond length is 2.63 Å. The Y(1)-Cl(3) bond length is 2.66 Å. The Y(1)-Cl(5) bond length is 2.64 Å. The Y(1)-Cl(6) bond length is 2.65 Å. Both Y(1)-Cl(4) bond lengths are 2.67 Å. In the second Y site, Y(2) is bonded to two equivalent Cl(6), two equivalent Cl(7), and two equivalent Cl(8) atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. Both Y(2)-Cl(6) bond lengths are 2.64 Å. Both Y(2)-Cl(7) bond lengths are 2.67 Å. Both Y(2)-Cl(8) bond lengths are 2.67 Å. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Ba(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and two equivalent Y(1) atoms. In the fourth Cl site, Cl(4) is bonded in a linear geometry to two equivalent Y(1) atoms. In the fifth Cl site, Cl(5) is bonded in a bent 150 degrees geometry to two equivalent Y(1) atoms. In the sixth Cl site, Cl(6) is bonded in a bent 150 degrees geometry to one Y(1) and one Y(2) atom. In the seventh Cl site, Cl(7) is bonded in a bent 150 degrees geometry to two equivalent Y(2) atoms. In the eighth Cl site, Cl(8) is bonded in a linear geometry to two equivalent Y(2) atoms. In the ninth Cl site, Cl(8) is bonded in a linear geometry to two equivalent Y(2) atoms. Both Cl(8)-Y(2) bond lengths are 2.67 Å.