CsMnMoO3F3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 3-coordinate geometry to one F(1) and two equivalent F(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MoO4F2 octahedra that share corners with two equivalent Mo(1)O4F2 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-49°. Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with four equivalent Mo(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cs(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mo(1), and one Mn(1) atom.
CsMnMoO3F3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 3-coordinate geometry to one F(1) and two equivalent F(2) atoms. The Cs(1)-F(1) bond length is 3.13 Å. Both Cs(1)-F(2) bond lengths are 3.07 Å. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MoO4F2 octahedra that share corners with two equivalent Mo(1)O4F2 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-49°. Both Mo(1)-O(1) bond lengths are 1.94 Å. Both Mo(1)-O(2) bond lengths are 1.84 Å. Both Mo(1)-F(2) bond lengths are 2.02 Å. Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with four equivalent Mo(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. Both Mn(1)-O(2) bond lengths are 2.10 Å. Both Mn(1)-F(1) bond lengths are 2.13 Å. Both Mn(1)-F(2) bond lengths are 2.23 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cs(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mo(1), and one Mn(1) atom.