NbFe(PbO3)2 crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Fe(1) and four equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Nb(1) and one Fe(1) atom.
NbFe(PbO3)2 crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Nb(1)-O(3) bond lengths are 2.02 Å. All Nb(1)-O(1) bond lengths are 2.03 Å. Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Fe(1)-O(3) bond lengths are 2.04 Å. All Fe(1)-O(2) bond lengths are 2.03 Å. Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. All Pb(1)-O(2) bond lengths are 2.69 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Fe(1) and four equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Nb(1) and one Fe(1) atom.