FeSO5 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. S(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms.
FeSO5 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. The Fe(1)-O(2) bond length is 2.02 Å. The Fe(1)-O(3) bond length is 2.02 Å. Both Fe(1)-O(1) bond lengths are 2.07 Å. There is one shorter (1.85 Å) and one longer (1.86 Å) Fe(1)-O(4) bond length. S(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.50 Å. Both S(1)-O(1) bond lengths are 1.47 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms.