Mn2OF3 is Rutile-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)F6 octahedra and edges with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 48°. O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms.
Mn2OF3 is Rutile-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)F6 octahedra and edges with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 48°. Both Mn(1)-O(1) bond lengths are 1.94 Å. All Mn(1)-F(1) bond lengths are 2.16 Å. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mn(2)-F(1) bond lengths are 2.15 Å. O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms.