Ba3Pb5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(2) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(1) atoms. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Ba(1), four equivalent Ba(2), two equivalent Pb(1), and two equivalent Pb(2) atoms.
Ba3Pb5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. The Ba(1)-Pb(3) bond length is 3.75 Å. There are two shorter (3.67 Å) and two longer (3.97 Å) Ba(1)-Pb(1) bond lengths. There are two shorter (3.56 Å) and two longer (3.84 Å) Ba(1)-Pb(2) bond lengths. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Pb(3), four equivalent Pb(1), and four equivalent Pb(2) atoms. Both Ba(2)-Pb(3) bond lengths are 3.73 Å. There are two shorter (3.65 Å) and two longer (3.92 Å) Ba(2)-Pb(1) bond lengths. There are two shorter (3.71 Å) and two longer (3.84 Å) Ba(2)-Pb(2) bond lengths. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(2) atoms. The Pb(1)-Pb(3) bond length is 3.17 Å. Both Pb(1)-Pb(2) bond lengths are 3.17 Å. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), one Pb(3), and two equivalent Pb(1) atoms. The Pb(2)-Pb(3) bond length is 3.28 Å. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Ba(1), four equivalent Ba(2), two equivalent Pb(1), and two equivalent Pb(2) atoms.