Mn2OF2 crystallizes in the monoclinic Cc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form distorted MnO2F3 trigonal bipyramids that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with six equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted OMn4 tetrahedra that share corners with four equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent F(2)Mn4 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent O(1)Mn4 tetrahedra.
Mn2OF2 crystallizes in the monoclinic Cc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form distorted MnO2F3 trigonal bipyramids that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. There is one shorter (2.06 Å) and one longer (2.12 Å) Mn(1)-O(1) bond length. The Mn(1)-F(1) bond length is 2.17 Å. There is one shorter (2.14 Å) and one longer (2.24 Å) Mn(1)-F(2) bond length. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with six equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-51°. There is one shorter (2.07 Å) and one longer (2.12 Å) Mn(2)-O(1) bond length. There is one shorter (2.17 Å) and one longer (2.29 Å) Mn(2)-F(1) bond length. There is one shorter (2.25 Å) and one longer (2.47 Å) Mn(2)-F(2) bond length. O(1) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted OMn4 tetrahedra that share corners with four equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent F(2)Mn4 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent O(1)Mn4 tetrahedra.