Yb3Sn5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to one Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. In the second Yb site, Yb(2) is bonded in a 10-coordinate geometry to two equivalent Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Sn(3), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Sn(2), one Sn(3), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Yb(1), four equivalent Yb(2), two equivalent Sn(1), and two equivalent Sn(2) atoms.
Yb3Sn5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to one Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. The Yb(1)-Sn(3) bond length is 3.21 Å. There are two shorter (3.19 Å) and two longer (3.55 Å) Yb(1)-Sn(1) bond lengths. There are two shorter (3.09 Å) and two longer (3.39 Å) Yb(1)-Sn(2) bond lengths. In the second Yb site, Yb(2) is bonded in a 10-coordinate geometry to two equivalent Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. Both Yb(2)-Sn(3) bond lengths are 3.33 Å. There are two shorter (3.24 Å) and two longer (3.46 Å) Yb(2)-Sn(1) bond lengths. There are two shorter (3.28 Å) and two longer (3.42 Å) Yb(2)-Sn(2) bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Sn(3), and two equivalent Sn(2) atoms. The Sn(1)-Sn(3) bond length is 3.04 Å. Both Sn(1)-Sn(2) bond lengths are 3.02 Å. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Sn(2), one Sn(3), and two equivalent Sn(1) atoms. The Sn(2)-Sn(2) bond length is 3.36 Å. The Sn(2)-Sn(3) bond length is 3.13 Å. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Yb(1), four equivalent Yb(2), two equivalent Sn(1), and two equivalent Sn(2) atoms.