La3Sn5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one La(1), four equivalent La(2), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent La(1), four equivalent La(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Sn(1), and two equivalent Sn(2) atoms.
La3Sn5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. The La(1)-Sn(1) bond length is 3.29 Å. There are two shorter (3.22 Å) and two longer (3.43 Å) La(1)-Sn(2) bond lengths. There are two shorter (3.29 Å) and two longer (3.70 Å) La(1)-Sn(3) bond lengths. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. Both La(2)-Sn(1) bond lengths are 3.42 Å. There are two shorter (3.47 Å) and two longer (3.51 Å) La(2)-Sn(2) bond lengths. There are two shorter (3.37 Å) and two longer (3.58 Å) La(2)-Sn(3) bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one La(1), four equivalent La(2), two equivalent Sn(2), and two equivalent Sn(3) atoms. Both Sn(1)-Sn(2) bond lengths are 3.24 Å. Both Sn(1)-Sn(3) bond lengths are 3.04 Å. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent La(1), four equivalent La(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. The Sn(2)-Sn(2) bond length is 3.20 Å. Both Sn(2)-Sn(3) bond lengths are 3.07 Å. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Sn(1), and two equivalent Sn(2) atoms.