MgTiPbO3 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Pb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and four equivalent Pb(1) atoms to form distorted OMgTiPb4 octahedra that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with eight equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(1)MgTiPb4 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form distorted OMg2Ti2 trigonal pyramids that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(2)Mg2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-79°.
MgTiPbO3 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The Mg(1)-O(1) bond length is 2.12 Å. There are two shorter (2.05 Å) and two longer (2.09 Å) Mg(1)-O(2) bond lengths. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The Ti(1)-O(1) bond length is 2.00 Å. There are two shorter (1.97 Å) and two longer (2.10 Å) Ti(1)-O(2) bond lengths. Pb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There is one shorter (2.67 Å) and three longer (2.72 Å) Pb(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and four equivalent Pb(1) atoms to form distorted OMgTiPb4 octahedra that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with eight equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(1)MgTiPb4 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form distorted OMg2Ti2 trigonal pyramids that share corners with four equivalent O(1)MgTiPb4 octahedra, corners with four equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with four equivalent O(2)Mg2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-79°.