Y5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(1) 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 YPb6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Y site, Y(2) is bonded to one Pb(3), two equivalent Pb(1), and three equivalent Pb(2) atoms to form a mixture of distorted edge, face, and corner-sharing YPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one Pb(1), two equivalent Pb(3), and three 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 Y(1), two equivalent Y(3), four equivalent Y(2), and one Pb(3) atom. In the second Pb site, Pb(2) is bonded to one Y(1), three equivalent Y(2), and three equivalent Y(3) atoms to form a mixture of distorted edge and corner-sharing PbY7 pentagonal bipyramids. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), four equivalent Y(3), and one Pb(1) atom.
Y5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(1) 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 YPb6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There is one shorter (3.50 Å) and one longer (3.67 Å) Y(1)-Pb(1) bond length. Both Y(1)-Pb(2) bond lengths are 3.63 Å. There is one shorter (3.49 Å) and one longer (3.68 Å) Y(1)-Pb(3) bond length. In the second Y site, Y(2) is bonded to one Pb(3), two equivalent Pb(1), and three equivalent Pb(2) atoms to form a mixture of distorted edge, face, and corner-sharing YPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. The Y(2)-Pb(3) bond length is 3.83 Å. There is one shorter (3.57 Å) and one longer (3.83 Å) Y(2)-Pb(1) bond length. There are a spread of Y(2)-Pb(2) bond distances ranging from 3.55-3.78 Å. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one Pb(1), two equivalent Pb(3), and three equivalent Pb(2) atoms. The Y(3)-Pb(1) bond length is 3.64 Å. There is one shorter (3.56 Å) and one longer (3.62 Å) Y(3)-Pb(3) bond length. There are a spread of Y(3)-Pb(2) bond distances ranging from 3.43-3.53 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), four equivalent Y(2), and one Pb(3) atom. The Pb(1)-Pb(3) bond length is 3.32 Å. In the second Pb site, Pb(2) is bonded to one Y(1), three equivalent Y(2), and three equivalent Y(3) atoms to form a mixture of distorted edge and corner-sharing PbY7 pentagonal bipyramids. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), four equivalent Y(3), and one Pb(1) atom.