Nb2Zn(PbO3)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(5), one O(6), one O(8), one O(9), and two equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the second Nb site, Nb(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. Zn(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1), one Pb(1), one Pb(2), and one Pb(3) atom to form distorted corner-sharing OZn2Pb3 square pyramids. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Nb(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2), one Zn(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Nb(1) and one Nb(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Nb(2), one Zn(1), one Pb(1), and one Pb(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom.
Nb2Zn(PbO3)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(5), one O(6), one O(8), one O(9), and two equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. The Nb(1)-O(5) bond length is 2.02 Å. The Nb(1)-O(6) bond length is 2.02 Å. The Nb(1)-O(8) bond length is 1.96 Å. The Nb(1)-O(9) bond length is 2.08 Å. There is one shorter (1.87 Å) and one longer (2.32 Å) Nb(1)-O(3) bond length. In the second Nb site, Nb(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. The Nb(2)-O(4) bond length is 2.01 Å. The Nb(2)-O(6) bond length is 2.02 Å. The Nb(2)-O(7) bond length is 1.97 Å. The Nb(2)-O(8) bond length is 2.10 Å. There is one shorter (1.87 Å) and one longer (2.33 Å) Nb(2)-O(2) bond length. Zn(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. The Zn(1)-O(4) bond length is 2.09 Å. The Zn(1)-O(5) bond length is 2.26 Å. The Zn(1)-O(7) bond length is 2.48 Å. The Zn(1)-O(9) bond length is 2.06 Å. There is one shorter (2.03 Å) and one longer (2.22 Å) Zn(1)-O(1) bond length. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. The Pb(1)-O(1) bond length is 2.48 Å. The Pb(1)-O(5) bond length is 2.37 Å. The Pb(1)-O(7) bond length is 2.45 Å. The Pb(1)-O(9) bond length is 2.70 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. The Pb(2)-O(1) bond length is 2.41 Å. The Pb(2)-O(4) bond length is 2.39 Å. The Pb(2)-O(7) bond length is 2.51 Å. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(9) atom. The Pb(3)-O(1) bond length is 2.57 Å. The Pb(3)-O(5) bond length is 2.53 Å. The Pb(3)-O(9) bond length is 2.39 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1), one Pb(1), one Pb(2), and one Pb(3) atom to form distorted corner-sharing OZn2Pb3 square pyramids. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Nb(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2), one Zn(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Nb(1) and one Nb(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Nb(2), one Zn(1), one Pb(1), and one Pb(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom.