BaLaI5 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one I(1), one I(2), one I(4), one I(6), two equivalent I(3), two equivalent I(7), and two equivalent I(9) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one I(10), one I(5), one I(7), one I(9), two equivalent I(2), two equivalent I(4), and two equivalent I(8) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(2), one I(4), one I(5), one I(6), and two equivalent I(8) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(5), one I(6), one I(7), one I(9), and two equivalent I(3) atoms. There are ten inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one La(1), and one La(2) atom. In the second I site, I(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the third I site, I(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(2) atoms. In the fourth I site, I(4) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one La(1), and one La(2) atom. In the sixth I site, I(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one La(1), and one La(2) atom. In the seventh I site, I(7) is bonded to one Ba(2), two equivalent Ba(1), and one La(2) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the eighth I site, I(8) is bonded in a 4-coordinate geometry to two equivalent Ba(2) and two equivalent La(1) atoms. In the ninth I site, I(9) is bonded to one Ba(2), two equivalent Ba(1), and one La(2) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the tenth I site, I(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one La(1), and one La(2) atom.
BaLaI5 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one I(1), one I(2), one I(4), one I(6), two equivalent I(3), two equivalent I(7), and two equivalent I(9) atoms. The Ba(1)-I(1) bond length is 3.66 Å. The Ba(1)-I(2) bond length is 3.63 Å. The Ba(1)-I(4) bond length is 3.63 Å. The Ba(1)-I(6) bond length is 3.71 Å. There is one shorter (4.05 Å) and one longer (4.21 Å) Ba(1)-I(3) bond length. There is one shorter (3.72 Å) and one longer (3.88 Å) Ba(1)-I(7) bond length. There is one shorter (3.67 Å) and one longer (3.91 Å) Ba(1)-I(9) bond length. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one I(10), one I(5), one I(7), one I(9), two equivalent I(2), two equivalent I(4), and two equivalent I(8) atoms. The Ba(2)-I(10) bond length is 3.68 Å. The Ba(2)-I(5) bond length is 3.67 Å. The Ba(2)-I(7) bond length is 3.63 Å. The Ba(2)-I(9) bond length is 3.63 Å. There is one shorter (3.71 Å) and one longer (3.93 Å) Ba(2)-I(2) bond length. There is one shorter (3.71 Å) and one longer (3.84 Å) Ba(2)-I(4) bond length. There is one shorter (4.06 Å) and one longer (4.19 Å) Ba(2)-I(8) bond length. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(2), one I(4), one I(5), one I(6), and two equivalent I(8) atoms. The La(1)-I(1) bond length is 3.27 Å. The La(1)-I(10) bond length is 3.29 Å. The La(1)-I(2) bond length is 3.28 Å. The La(1)-I(4) bond length is 3.29 Å. The La(1)-I(5) bond length is 3.29 Å. The La(1)-I(6) bond length is 3.27 Å. There is one shorter (3.42 Å) and one longer (3.45 Å) La(1)-I(8) bond length. In the second La site, La(2) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(5), one I(6), one I(7), one I(9), and two equivalent I(3) atoms. The La(2)-I(1) bond length is 3.29 Å. The La(2)-I(10) bond length is 3.27 Å. The La(2)-I(5) bond length is 3.27 Å. The La(2)-I(6) bond length is 3.29 Å. The La(2)-I(7) bond length is 3.29 Å. The La(2)-I(9) bond length is 3.28 Å. There is one shorter (3.43 Å) and one longer (3.44 Å) La(2)-I(3) bond length. There are ten inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one La(1), and one La(2) atom. In the second I site, I(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the third I site, I(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(2) atoms. In the fourth I site, I(4) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one La(1), and one La(2) atom. In the sixth I site, I(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one La(1), and one La(2) atom. In the seventh I site, I(7) is bonded to one Ba(2), two equivalent Ba(1), and one La(2) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the eighth I site, I(8) is bonded in a 4-coordinate geometry to two equivalent Ba(2) and two equivalent La(1) atoms. In the ninth I site, I(9) is bonded to one Ba(2), two equivalent Ba(1), and one La(2) atom to form a mixture of edge and corner-sharing IBa3La tetrahedra. In the tenth I site, I(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one La(1), and one La(2) atom.