NdCoPbSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Co(1), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1), one Co(1), one Pb(1), and one Sb(1) atom to form distorted ONd2CoSbPb trigonal bipyramids that share  a cornercorner with one O(4)NdCoSbPb tetrahedra, corners with two equivalent O(2)Nd2CoSbPb trigonal bipyramids, and edges with two equivalent O(4)NdCoSbPb tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Co(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded to one Nd(1), one Co(1), one Pb(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing ONdCoSbPb tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Nd(1), one Co(1), one Pb(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nd(1), one Co(1), and one Sb(1) atom.
NdCoPbSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. The Nd(1)-O(1) bond length is 2.41 Å. The Nd(1)-O(3) bond length is 2.38 Å. The Nd(1)-O(4) bond length is 2.42 Å. The Nd(1)-O(6) bond length is 2.43 Å. There is one shorter (2.65 Å) and one longer (2.77 Å) Nd(1)-O(2) bond length. There is one shorter (2.57 Å) and one longer (2.87 Å) Nd(1)-O(5) bond length. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. The Co(1)-O(1) bond length is 2.11 Å. The Co(1)-O(2) bond length is 2.20 Å. The Co(1)-O(3) bond length is 2.12 Å. The Co(1)-O(4) bond length is 2.13 Å. The Co(1)-O(5) bond length is 2.19 Å. The Co(1)-O(6) bond length is 2.13 Å. Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. The Pb(1)-O(2) bond length is 2.53 Å. The Pb(1)-O(4) bond length is 2.49 Å. The Pb(1)-O(5) bond length is 2.48 Å. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. The Sb(1)-O(1) bond length is 2.01 Å. The Sb(1)-O(2) bond length is 2.03 Å. The Sb(1)-O(3) bond length is 2.02 Å. The Sb(1)-O(4) bond length is 2.02 Å. The Sb(1)-O(5) bond length is 2.04 Å. The Sb(1)-O(6) bond length is 2.01 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Co(1), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1), one Co(1), one Pb(1), and one Sb(1) atom to form distorted ONd2CoSbPb trigonal bipyramids that share  a cornercorner with one O(4)NdCoSbPb tetrahedra, corners with two equivalent O(2)Nd2CoSbPb trigonal bipyramids, and edges with two equivalent O(4)NdCoSbPb tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Co(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded to one Nd(1), one Co(1), one Pb(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing ONdCoSbPb tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Nd(1), one Co(1), one Pb(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nd(1), one Co(1), and one Sb(1) atom.