MgVPbO3 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(1) and four equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Pb(1) is bonded to one Mg(1) and four equivalent O(1) atoms to form PbMgO4 square pyramids that share corners with four equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2V2 trigonal pyramids, and edges with four equivalent Pb(1)MgO4 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and four equivalent Pb(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent V(1) atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2V2 trigonal pyramids, and edges with four equivalent O(2)Mg2V2 trigonal pyramids.
MgVPbO3 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(1) and four equivalent O(2) atoms. The Mg(1)-Pb(1) bond length is 3.20 Å. All Mg(1)-O(2) bond lengths are 1.99 Å. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The V(1)-O(1) bond length is 1.88 Å. All V(1)-O(2) bond lengths are 2.04 Å. Pb(1) is bonded to one Mg(1) and four equivalent O(1) atoms to form PbMgO4 square pyramids that share corners with four equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2V2 trigonal pyramids, and edges with four equivalent Pb(1)MgO4 square pyramids. All Pb(1)-O(1) bond lengths are 2.69 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and four equivalent Pb(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent V(1) atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent Pb(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2V2 trigonal pyramids, and edges with four equivalent O(2)Mg2V2 trigonal pyramids.