BaPb3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent Pb(2) and nine equivalent Pb(1) atoms to form a mixture of distorted corner and face-sharing BaPb12 cuboctahedra. In the second Ba site, Ba(2) is bonded to six equivalent Pb(1) and six equivalent Pb(2) atoms to form a mixture of corner and face-sharing BaPb12 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 10-coordinate geometry to one Ba(2), three equivalent Ba(1), two equivalent Pb(2), and four equivalent Pb(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent Ba(2), and four equivalent Pb(1) atoms.
BaPb3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent Pb(2) and nine equivalent Pb(1) atoms to form a mixture of distorted corner and face-sharing BaPb12 cuboctahedra. All Ba(1)-Pb(2) bond lengths are 3.72 Å. All Ba(1)-Pb(1) bond lengths are 3.73 Å. In the second Ba site, Ba(2) is bonded to six equivalent Pb(1) and six equivalent Pb(2) atoms to form a mixture of corner and face-sharing BaPb12 cuboctahedra. All Ba(2)-Pb(1) bond lengths are 3.77 Å. All Ba(2)-Pb(2) bond lengths are 3.71 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 10-coordinate geometry to one Ba(2), three equivalent Ba(1), two equivalent Pb(2), and four equivalent Pb(1) atoms. Both Pb(1)-Pb(2) bond lengths are 3.49 Å. There are two shorter (3.16 Å) and two longer (3.50 Å) Pb(1)-Pb(1) bond lengths. In the second Pb site, Pb(2) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent Ba(2), and four equivalent Pb(1) atoms.