Nd5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-41°. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one Pb(2), two equivalent Pb(3), and three equivalent Pb(1) atoms. In the third Nd site, Nd(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of face and corner-sharing NdPb6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), four equivalent Nd(2), and one Pb(2) atom. In the second Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Nd(3), three equivalent Nd(1), and three equivalent Nd(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), four equivalent Nd(1), and one Pb(3) atom.
Nd5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 40-41°. The Nd(1)-Pb(3) bond length is 3.37 Å. There is one shorter (3.29 Å) and one longer (3.35 Å) Nd(1)-Pb(2) bond length. There are a spread of Nd(1)-Pb(1) bond distances ranging from 3.19-3.31 Å. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one Pb(2), two equivalent Pb(3), and three equivalent Pb(1) atoms. The Nd(2)-Pb(2) bond length is 3.51 Å. There is one shorter (3.26 Å) and one longer (3.53 Å) Nd(2)-Pb(3) bond length. There are a spread of Nd(2)-Pb(1) bond distances ranging from 3.30-3.55 Å. In the third Nd site, Nd(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of face and corner-sharing NdPb6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Both Nd(3)-Pb(1) bond lengths are 3.33 Å. There is one shorter (3.26 Å) and one longer (3.38 Å) Nd(3)-Pb(2) bond length. There is one shorter (3.25 Å) and one longer (3.38 Å) Nd(3)-Pb(3) bond length. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), four equivalent Nd(2), and one Pb(2) atom. The Pb(3)-Pb(2) bond length is 3.20 Å. In the second Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Nd(3), three equivalent Nd(1), and three equivalent Nd(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), four equivalent Nd(1), and one Pb(3) atom.