Ba2LaI7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one I(1), one I(11), one I(12), one I(3), one I(8), and one I(9) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(10), one I(13), one I(3), one I(4), one I(5), one I(6), one I(7), and one I(9) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(14), one I(2), one I(4), one I(6), one I(8), and one I(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(11), one I(12), one I(13), one I(2), one I(5), and one I(7) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in an octahedral geometry to one I(11), one I(13), one I(3), one I(5), one I(6), and one I(7) atom. In the second La site, La(2) is bonded in an octahedral geometry to one I(1), one I(12), one I(14), one I(2), one I(4), and one I(8) atom. There are fourteen inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(3), one Ba(4), and one La(2) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(4), and one La(2) atom. In the third I site, I(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Ba(2), one Ba(3), and one La(2) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one La(1) atom. In the sixth I site, I(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one La(1) atom. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one La(1) atom. In the eighth I site, I(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(3), and one La(2) atom. In the ninth I site, I(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth I site, I(10) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh I site, I(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one La(1) atom. In the twelfth I site, I(12) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one La(2) atom. In the thirteenth I site, I(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one La(1) atom. In the fourteenth I site, I(14) is bonded in a distorted L-shaped geometry to one Ba(3) and one La(2) atom.
Ba2LaI7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one I(1), one I(11), one I(12), one I(3), one I(8), and one I(9) atom. The Ba(1)-I(1) bond length is 3.67 Å. The Ba(1)-I(11) bond length is 3.61 Å. The Ba(1)-I(12) bond length is 3.94 Å. The Ba(1)-I(3) bond length is 3.69 Å. The Ba(1)-I(8) bond length is 3.62 Å. The Ba(1)-I(9) bond length is 3.56 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one I(10), one I(13), one I(3), one I(4), one I(5), one I(6), one I(7), and one I(9) atom. The Ba(2)-I(10) bond length is 3.54 Å. The Ba(2)-I(13) bond length is 3.75 Å. The Ba(2)-I(3) bond length is 3.62 Å. The Ba(2)-I(4) bond length is 3.69 Å. The Ba(2)-I(5) bond length is 3.94 Å. The Ba(2)-I(6) bond length is 3.68 Å. The Ba(2)-I(7) bond length is 3.68 Å. The Ba(2)-I(9) bond length is 3.51 Å. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(14), one I(2), one I(4), one I(6), one I(8), and one I(9) atom. The Ba(3)-I(1) bond length is 4.02 Å. The Ba(3)-I(10) bond length is 3.48 Å. The Ba(3)-I(14) bond length is 3.58 Å. The Ba(3)-I(2) bond length is 3.65 Å. The Ba(3)-I(4) bond length is 3.65 Å. The Ba(3)-I(6) bond length is 3.68 Å. The Ba(3)-I(8) bond length is 3.70 Å. The Ba(3)-I(9) bond length is 3.58 Å. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one I(1), one I(10), one I(11), one I(12), one I(13), one I(2), one I(5), and one I(7) atom. The Ba(4)-I(1) bond length is 4.14 Å. The Ba(4)-I(10) bond length is 3.52 Å. The Ba(4)-I(11) bond length is 3.80 Å. The Ba(4)-I(12) bond length is 3.54 Å. The Ba(4)-I(13) bond length is 3.68 Å. The Ba(4)-I(2) bond length is 4.11 Å. The Ba(4)-I(5) bond length is 3.67 Å. The Ba(4)-I(7) bond length is 4.00 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in an octahedral geometry to one I(11), one I(13), one I(3), one I(5), one I(6), and one I(7) atom. The La(1)-I(11) bond length is 3.18 Å. The La(1)-I(13) bond length is 3.17 Å. The La(1)-I(3) bond length is 3.19 Å. The La(1)-I(5) bond length is 3.20 Å. The La(1)-I(6) bond length is 3.12 Å. The La(1)-I(7) bond length is 3.16 Å. In the second La site, La(2) is bonded in an octahedral geometry to one I(1), one I(12), one I(14), one I(2), one I(4), and one I(8) atom. The La(2)-I(1) bond length is 3.19 Å. The La(2)-I(12) bond length is 3.17 Å. The La(2)-I(14) bond length is 3.12 Å. The La(2)-I(2) bond length is 3.18 Å. The La(2)-I(4) bond length is 3.11 Å. The La(2)-I(8) bond length is 3.21 Å. There are fourteen inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(3), one Ba(4), and one La(2) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Ba(3), one Ba(4), and one La(2) atom. In the third I site, I(3) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Ba(2), one Ba(3), and one La(2) atom. In the fifth I site, I(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(4), and one La(1) atom. In the sixth I site, I(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one La(1) atom. In the seventh I site, I(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one La(1) atom. In the eighth I site, I(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(3), and one La(2) atom. In the ninth I site, I(9) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the tenth I site, I(10) is bonded in a distorted T-shaped geometry to one Ba(2), one Ba(3), and one Ba(4) atom. In the eleventh I site, I(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one La(1) atom. In the twelfth I site, I(12) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one La(2) atom. In the thirteenth I site, I(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one La(1) atom. In the fourteenth I site, I(14) is bonded in a distorted L-shaped geometry to one Ba(3) and one La(2) atom.