Cu3PbTeO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Te(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Pb(1)O5 square pyramid, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and  an edgeedge with one Pb(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-59°. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(1), one O(2), and two equivalent O(4) atoms. Pb(1) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted PbO5 square pyramids that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. Te(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Pb(1)O5 square pyramids, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Pb(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 59°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one Pb(1), and one Te(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Pb(1), and one Te(1) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(1), and one Te(1) atom. In the fourth O site, O(2) is bonded in a distorted tetrahedral geometry to one Cu(2), two equivalent Cu(1), and one Pb(1) atom. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Cu(1) and one Te(1) atom.
Cu3PbTeO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Te(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Pb(1)O5 square pyramid, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and  an edgeedge with one Pb(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 19-59°. The Cu(1)-O(1) bond length is 2.33 Å. The Cu(1)-O(2) bond length is 1.95 Å. The Cu(1)-O(4) bond length is 2.05 Å. The Cu(1)-O(5) bond length is 2.00 Å. There is one shorter (2.06 Å) and one longer (2.57 Å) Cu(1)-O(3) bond length. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(1), one O(2), and two equivalent O(4) atoms. The Cu(2)-O(1) bond length is 2.09 Å. The Cu(2)-O(2) bond length is 1.89 Å. Both Cu(2)-O(4) bond lengths are 1.94 Å. Pb(1) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted PbO5 square pyramids that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. The Pb(1)-O(2) bond length is 2.46 Å. Both Pb(1)-O(4) bond lengths are 2.58 Å. Both Pb(1)-O(5) bond lengths are 2.52 Å. Te(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Pb(1)O5 square pyramids, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Pb(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 59°. The Te(1)-O(1) bond length is 1.91 Å. The Te(1)-O(3) bond length is 2.00 Å. Both Te(1)-O(4) bond lengths are 2.02 Å. Both Te(1)-O(5) bond lengths are 1.96 Å. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one Pb(1), and one Te(1) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Pb(1), and one Te(1) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), two equivalent Cu(1), and one Te(1) atom. In the fourth O site, O(2) is bonded in a distorted tetrahedral geometry to one Cu(2), two equivalent Cu(1), and one Pb(1) atom. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Cu(1) and one Te(1) atom.