Pb2FeReO6 crystallizes in the tetragonal I4 space group. Re(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Pb(1) 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 in a distorted linear geometry to one Re(1), one Fe(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Re(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Re(1) and one Fe(1) atom.
Pb2FeReO6 crystallizes in the tetragonal I4 space group. Re(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Re(1)-O(2) bond length is 1.98 Å. The Re(1)-O(3) bond length is 1.95 Å. All Re(1)-O(1) bond lengths are 1.97 Å. Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Fe(1)-O(2) bond length is 2.02 Å. The Fe(1)-O(3) bond length is 2.09 Å. All Fe(1)-O(1) bond lengths are 2.06 Å. Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are two shorter (2.71 Å) and two longer (2.75 Å) Pb(1)-O(1) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Re(1), one Fe(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Re(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Re(1) and one Fe(1) atom.