Ba2LaI7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted pentagonal bipyramidal geometry to one I(1), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), one I(7), and two equivalent I(2) atoms. La(1) is bonded in a 7-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), and two equivalent I(7) atoms. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Ba(2) atoms. In the third I site, I(3) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the seventh I site, I(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), and two equivalent La(1) atoms.
Ba2LaI7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted pentagonal bipyramidal geometry to one I(1), one I(2), one I(3), one I(4), one I(5), one I(6), and one I(7) atom. The Ba(1)-I(1) bond length is 3.43 Å. The Ba(1)-I(2) bond length is 3.38 Å. The Ba(1)-I(3) bond length is 3.61 Å. The Ba(1)-I(4) bond length is 3.87 Å. The Ba(1)-I(5) bond length is 3.42 Å. The Ba(1)-I(6) bond length is 3.56 Å. The Ba(1)-I(7) bond length is 3.62 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), one I(7), and two equivalent I(2) atoms. The Ba(2)-I(1) bond length is 3.66 Å. The Ba(2)-I(3) bond length is 3.71 Å. The Ba(2)-I(4) bond length is 3.55 Å. The Ba(2)-I(5) bond length is 3.54 Å. The Ba(2)-I(6) bond length is 3.52 Å. The Ba(2)-I(7) bond length is 3.74 Å. Both Ba(2)-I(2) bond lengths are 3.63 Å. La(1) is bonded in a 7-coordinate geometry to one I(1), one I(3), one I(4), one I(5), one I(6), and two equivalent I(7) atoms. The La(1)-I(1) bond length is 3.29 Å. The La(1)-I(3) bond length is 3.25 Å. The La(1)-I(4) bond length is 3.22 Å. The La(1)-I(5) bond length is 3.27 Å. The La(1)-I(6) bond length is 3.19 Å. There is one shorter (3.32 Å) and one longer (3.86 Å) La(1)-I(7) bond length. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Ba(2) atoms. In the third I site, I(3) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth I site, I(5) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one La(1) atom. In the seventh I site, I(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), and two equivalent La(1) atoms.