(FeF3)6O2 crystallizes in the orthorhombic Cmcm space group. The structure consists of four water atoms inside a FeF3 framework. In the FeF3 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. In the second Fe site, Fe(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Fe(2) atoms.
(FeF3)6O2 crystallizes in the orthorhombic Cmcm space group. The structure consists of four water atoms inside a FeF3 framework. In the FeF3 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. Both Fe(1)-F(3) bond lengths are 1.96 Å. All Fe(1)-F(2) bond lengths are 1.96 Å. In the second Fe site, Fe(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. Both Fe(2)-F(1) bond lengths are 1.97 Å. Both Fe(2)-F(2) bond lengths are 1.98 Å. Both Fe(2)-F(4) bond lengths are 1.97 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Fe(2) atoms.