MgZrTi(PbO3)2 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(1) and four equivalent O(1) atoms. Zr(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Mg(1), two equivalent O(2), and two equivalent O(3) atoms to form PbMgO4 square pyramids that share corners with four equivalent Pb(1)MgO4 square pyramids and corners with four equivalent O(1)MgZrTiPb tetrahedra. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zr(1), one Ti(1), and one Pb(2) atom to form distorted OMgZrTiPb tetrahedra that share  a cornercorner with one Pb(1)MgO4 square pyramid, corners with four equivalent O(1)MgZrTiPb tetrahedra, and edges with four equivalent O(1)MgZrTiPb tetrahedra. In the second O site, O(2) is bonded in a single-bond geometry to one Ti(1) and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Zr(1) and two equivalent Pb(1) atoms.
MgZrTi(PbO3)2 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(1) and four equivalent O(1) atoms. The Mg(1)-Pb(1) bond length is 2.91 Å. All Mg(1)-O(1) bond lengths are 2.04 Å. Zr(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. The Zr(1)-O(3) bond length is 1.93 Å. All Zr(1)-O(1) bond lengths are 2.15 Å. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. The Ti(1)-O(2) bond length is 1.74 Å. All Ti(1)-O(1) bond lengths are 2.01 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Mg(1), two equivalent O(2), and two equivalent O(3) atoms to form PbMgO4 square pyramids that share corners with four equivalent Pb(1)MgO4 square pyramids and corners with four equivalent O(1)MgZrTiPb tetrahedra. Both Pb(1)-O(2) bond lengths are 2.75 Å. Both Pb(1)-O(3) bond lengths are 2.71 Å. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Pb(2)-O(1) bond lengths are 2.43 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zr(1), one Ti(1), and one Pb(2) atom to form distorted OMgZrTiPb tetrahedra that share  a cornercorner with one Pb(1)MgO4 square pyramid, corners with four equivalent O(1)MgZrTiPb tetrahedra, and edges with four equivalent O(1)MgZrTiPb tetrahedra. In the second O site, O(2) is bonded in a single-bond geometry to one Ti(1) and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Zr(1) and two equivalent Pb(1) atoms.