Ba3La2Cl12 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Ba site, Ba(2) is bonded in a body-centered cubic geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), two equivalent Cl(1), and two equivalent Cl(6) atoms. La(1) is bonded in a distorted body-centered cubic geometry to one Cl(1), one Cl(3), one Cl(4), one Cl(6), two equivalent Cl(2), and two equivalent Cl(5) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(2) and one La(1) atom. In the second Cl site, Cl(2) is bonded to one Ba(1), one Ba(2), and two equivalent La(1) atoms to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth Cl site, Cl(5) is bonded to one Ba(1), one Ba(2), and two equivalent La(1) atoms to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the sixth Cl site, Cl(6) is bonded in a trigonal planar geometry to two equivalent Ba(2) and one La(1) atom.
Ba3La2Cl12 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. Both Ba(1)-Cl(2) bond lengths are 3.14 Å. Both Ba(1)-Cl(3) bond lengths are 3.11 Å. Both Ba(1)-Cl(4) bond lengths are 3.17 Å. Both Ba(1)-Cl(5) bond lengths are 3.24 Å. In the second Ba site, Ba(2) is bonded in a body-centered cubic geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), two equivalent Cl(1), and two equivalent Cl(6) atoms. The Ba(2)-Cl(2) bond length is 3.43 Å. The Ba(2)-Cl(3) bond length is 3.26 Å. The Ba(2)-Cl(4) bond length is 3.13 Å. The Ba(2)-Cl(5) bond length is 3.21 Å. There is one shorter (3.16 Å) and one longer (3.21 Å) Ba(2)-Cl(1) bond length. There is one shorter (3.12 Å) and one longer (3.23 Å) Ba(2)-Cl(6) bond length. La(1) is bonded in a distorted body-centered cubic geometry to one Cl(1), one Cl(3), one Cl(4), one Cl(6), two equivalent Cl(2), and two equivalent Cl(5) atoms. The La(1)-Cl(1) bond length is 2.90 Å. The La(1)-Cl(3) bond length is 2.88 Å. The La(1)-Cl(4) bond length is 2.83 Å. The La(1)-Cl(6) bond length is 2.85 Å. There is one shorter (2.93 Å) and one longer (3.29 Å) La(1)-Cl(2) bond length. There is one shorter (2.99 Å) and one longer (3.15 Å) La(1)-Cl(5) bond length. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(2) and one La(1) atom. In the second Cl site, Cl(2) is bonded to one Ba(1), one Ba(2), and two equivalent La(1) atoms to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one La(1) atom. In the fifth Cl site, Cl(5) is bonded to one Ba(1), one Ba(2), and two equivalent La(1) atoms to form a mixture of corner and edge-sharing ClBa2La2 tetrahedra. In the sixth Cl site, Cl(6) is bonded in a trigonal planar geometry to two equivalent Ba(2) and one La(1) atom.