BaLaCl5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(10), one Cl(4), one Cl(6), one Cl(8), one Cl(9), and two equivalent Cl(15) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Cl(10), one Cl(11), one Cl(13), one Cl(2), one Cl(4), one Cl(5), one Cl(6), and one Cl(8) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Cl(11), one Cl(13), one Cl(14), one Cl(5), one Cl(9), and two equivalent Cl(7) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one Cl(11), one Cl(12), one Cl(13), one Cl(3), one Cl(5), one Cl(9), and two equivalent Cl(2) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(15), one Cl(6), one Cl(8), and two equivalent Cl(10) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(11), one Cl(15), one Cl(3), one Cl(4), one Cl(7), one Cl(8), and one Cl(9) atom. There are fifteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one La(2), and one La(3) atom. In the second Cl site, Cl(2) is bonded in a distorted water-like geometry to one Ba(2) and two equivalent La(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one La(1) and one La(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(3) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one La(1) atom. In the sixth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one La(2) atom. In the seventh Cl site, Cl(7) is bonded in a distorted T-shaped geometry to two equivalent Ba(3) and one La(3) atom. In the eighth Cl site, Cl(8) is bonded to one Ba(1), one Ba(2), one La(2), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the ninth Cl site, Cl(9) is bonded to one Ba(1), one Ba(3), one La(1), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the tenth Cl site, Cl(10) is bonded to one Ba(1), one Ba(2), and two equivalent La(2) atoms to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the eleventh Cl site, Cl(11) is bonded to one Ba(2), one Ba(3), one La(1), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the twelfth Cl site, Cl(12) is bonded in a distorted bent 150 degrees geometry to one La(1) and one La(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one La(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Ba(3) and one La(2) atom. In the fifteenth Cl site, Cl(15) is bonded to two equivalent Ba(1), one La(2), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra.
BaLaCl5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(10), one Cl(4), one Cl(6), one Cl(8), one Cl(9), and two equivalent Cl(15) atoms. The Ba(1)-Cl(1) bond length is 3.71 Å. The Ba(1)-Cl(10) bond length is 3.24 Å. The Ba(1)-Cl(4) bond length is 3.42 Å. The Ba(1)-Cl(6) bond length is 3.49 Å. The Ba(1)-Cl(8) bond length is 3.28 Å. The Ba(1)-Cl(9) bond length is 3.46 Å. There is one shorter (3.35 Å) and one longer (3.52 Å) Ba(1)-Cl(15) bond length. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Cl(10), one Cl(11), one Cl(13), one Cl(2), one Cl(4), one Cl(5), one Cl(6), and one Cl(8) atom. The Ba(2)-Cl(10) bond length is 3.28 Å. The Ba(2)-Cl(11) bond length is 3.24 Å. The Ba(2)-Cl(13) bond length is 3.24 Å. The Ba(2)-Cl(2) bond length is 3.68 Å. The Ba(2)-Cl(4) bond length is 3.10 Å. The Ba(2)-Cl(5) bond length is 3.14 Å. The Ba(2)-Cl(6) bond length is 3.13 Å. The Ba(2)-Cl(8) bond length is 3.35 Å. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one Cl(11), one Cl(13), one Cl(14), one Cl(5), one Cl(9), and two equivalent Cl(7) atoms. The Ba(3)-Cl(11) bond length is 3.12 Å. The Ba(3)-Cl(13) bond length is 3.26 Å. The Ba(3)-Cl(14) bond length is 3.04 Å. The Ba(3)-Cl(5) bond length is 3.30 Å. The Ba(3)-Cl(9) bond length is 3.31 Å. There is one shorter (3.03 Å) and one longer (3.55 Å) Ba(3)-Cl(7) bond length. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one Cl(11), one Cl(12), one Cl(13), one Cl(3), one Cl(5), one Cl(9), and two equivalent Cl(2) atoms. The La(1)-Cl(11) bond length is 3.28 Å. The La(1)-Cl(12) bond length is 2.82 Å. The La(1)-Cl(13) bond length is 2.77 Å. The La(1)-Cl(3) bond length is 2.86 Å. The La(1)-Cl(5) bond length is 2.76 Å. The La(1)-Cl(9) bond length is 3.30 Å. There is one shorter (2.87 Å) and one longer (2.95 Å) La(1)-Cl(2) bond length. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(12), one Cl(14), one Cl(15), one Cl(6), one Cl(8), and two equivalent Cl(10) atoms. The La(2)-Cl(1) bond length is 2.87 Å. The La(2)-Cl(12) bond length is 2.82 Å. The La(2)-Cl(14) bond length is 2.73 Å. The La(2)-Cl(15) bond length is 3.07 Å. The La(2)-Cl(6) bond length is 2.85 Å. The La(2)-Cl(8) bond length is 2.99 Å. There is one shorter (3.05 Å) and one longer (3.14 Å) La(2)-Cl(10) bond length. In the third La site, La(3) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(11), one Cl(15), one Cl(3), one Cl(4), one Cl(7), one Cl(8), and one Cl(9) atom. The La(3)-Cl(1) bond length is 2.90 Å. The La(3)-Cl(11) bond length is 2.98 Å. The La(3)-Cl(15) bond length is 2.98 Å. The La(3)-Cl(3) bond length is 2.84 Å. The La(3)-Cl(4) bond length is 2.79 Å. The La(3)-Cl(7) bond length is 2.81 Å. The La(3)-Cl(8) bond length is 3.07 Å. The La(3)-Cl(9) bond length is 3.11 Å. There are fifteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one La(2), and one La(3) atom. In the second Cl site, Cl(2) is bonded in a distorted water-like geometry to one Ba(2) and two equivalent La(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one La(1) and one La(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(3) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one La(1) atom. In the sixth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one La(2) atom. In the seventh Cl site, Cl(7) is bonded in a distorted T-shaped geometry to two equivalent Ba(3) and one La(3) atom. In the eighth Cl site, Cl(8) is bonded to one Ba(1), one Ba(2), one La(2), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the ninth Cl site, Cl(9) is bonded to one Ba(1), one Ba(3), one La(1), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the tenth Cl site, Cl(10) is bonded to one Ba(1), one Ba(2), and two equivalent La(2) atoms to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the eleventh Cl site, Cl(11) is bonded to one Ba(2), one Ba(3), one La(1), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the twelfth Cl site, Cl(12) is bonded in a distorted bent 150 degrees geometry to one La(1) and one La(2) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one La(1) atom. In the fourteenth Cl site, Cl(14) is bonded in a bent 150 degrees geometry to one Ba(3) and one La(2) atom. In the fifteenth Cl site, Cl(15) is bonded to two equivalent Ba(1), one La(2), and one La(3) atom to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra.