Cu3PbTeO8 crystallizes in the orthorhombic Fdd2 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share edges with two equivalent Te(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one Pb(1), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Pb(1), and one Te(1) atom.
Cu3PbTeO8 crystallizes in the orthorhombic Fdd2 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Both Cu(1)-O(1) bond lengths are 1.89 Å. Both Cu(1)-O(3) bond lengths are 1.99 Å. Both Cu(1)-O(4) bond lengths are 2.49 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share edges with two equivalent Te(1)O6 octahedra. Both Cu(2)-O(1) bond lengths are 1.85 Å. Both Cu(2)-O(3) bond lengths are 1.95 Å. Both Cu(2)-O(4) bond lengths are 2.50 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Cu(3)-O(2) bond lengths are 1.92 Å. Both Cu(3)-O(4) bond lengths are 1.92 Å. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Both Pb(1)-O(1) bond lengths are 2.48 Å. Both Pb(1)-O(2) bond lengths are 2.68 Å. Both Pb(1)-O(4) bond lengths are 2.74 Å. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra. Both Te(1)-O(2) bond lengths are 1.92 Å. Both Te(1)-O(3) bond lengths are 2.07 Å. Both Te(1)-O(4) bond lengths are 1.95 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one Pb(1), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Pb(1), and one Te(1) atom.