Cs3LaCl6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(5), one Cl(6), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one Cl(2), one Cl(4), one Cl(5), one Cl(6), two equivalent Cl(1), and two equivalent Cl(3) atoms. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(4), two equivalent Cl(2), two equivalent Cl(5), and two equivalent Cl(6) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in an octahedral geometry to two equivalent Cl(2), two equivalent Cl(5), and two equivalent Cl(6) atoms. In the second La site, La(2) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(3), and two equivalent Cl(4) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and one La(2) atom. In the second Cl site, Cl(2) is bonded to one Cs(1), one Cs(2), two equivalent Cs(3), and one La(1) atom to form distorted face-sharing ClCs4La square pyramids. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one La(2) atom. In the fourth Cl site, Cl(4) is bonded in a 5-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and one La(2) atom. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one La(1) atom. In the sixth Cl site, Cl(6) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one La(1) atom.
Cs3LaCl6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(5), one Cl(6), two equivalent Cl(3), and two equivalent Cl(4) atoms. The Cs(1)-Cl(1) bond length is 3.44 Å. The Cs(1)-Cl(2) bond length is 3.47 Å. The Cs(1)-Cl(5) bond length is 3.67 Å. The Cs(1)-Cl(6) bond length is 3.68 Å. There is one shorter (3.44 Å) and one longer (3.49 Å) Cs(1)-Cl(3) bond length. There is one shorter (3.62 Å) and one longer (3.85 Å) Cs(1)-Cl(4) bond length. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one Cl(2), one Cl(4), one Cl(5), one Cl(6), two equivalent Cl(1), and two equivalent Cl(3) atoms. The Cs(2)-Cl(2) bond length is 3.60 Å. The Cs(2)-Cl(4) bond length is 3.42 Å. The Cs(2)-Cl(5) bond length is 3.56 Å. The Cs(2)-Cl(6) bond length is 3.40 Å. There is one shorter (3.70 Å) and one longer (3.80 Å) Cs(2)-Cl(1) bond length. There is one shorter (3.58 Å) and one longer (3.59 Å) Cs(2)-Cl(3) bond length. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(4), two equivalent Cl(2), two equivalent Cl(5), and two equivalent Cl(6) atoms. The Cs(3)-Cl(1) bond length is 3.69 Å. The Cs(3)-Cl(4) bond length is 3.91 Å. There is one shorter (3.63 Å) and one longer (3.69 Å) Cs(3)-Cl(2) bond length. There is one shorter (3.67 Å) and one longer (3.92 Å) Cs(3)-Cl(5) bond length. There is one shorter (3.60 Å) and one longer (4.05 Å) Cs(3)-Cl(6) bond length. There are two inequivalent La sites. In the first La site, La(1) is bonded in an octahedral geometry to two equivalent Cl(2), two equivalent Cl(5), and two equivalent Cl(6) atoms. Both La(1)-Cl(2) bond lengths are 2.80 Å. Both La(1)-Cl(5) bond lengths are 2.76 Å. Both La(1)-Cl(6) bond lengths are 2.79 Å. In the second La site, La(2) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(3), and two equivalent Cl(4) atoms. Both La(2)-Cl(1) bond lengths are 2.81 Å. Both La(2)-Cl(3) bond lengths are 2.80 Å. Both La(2)-Cl(4) bond lengths are 2.78 Å. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and one La(2) atom. In the second Cl site, Cl(2) is bonded to one Cs(1), one Cs(2), two equivalent Cs(3), and one La(1) atom to form distorted face-sharing ClCs4La square pyramids. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one La(2) atom. In the fourth Cl site, Cl(4) is bonded in a 5-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and one La(2) atom. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one La(1) atom. In the sixth Cl site, Cl(6) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one La(1) atom.