CsMoO2F3 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent F(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MoO2F4 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom.
CsMoO2F3 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent F(2) atoms. Both Cs(1)-O(1) bond lengths are 3.08 Å. There are four shorter (3.14 Å) and two longer (3.18 Å) Cs(1)-F(2) bond lengths. Mo(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MoO2F4 octahedra. The corner-sharing octahedra are not tilted. Both Mo(1)-O(1) bond lengths are 1.69 Å. Both Mo(1)-F(1) bond lengths are 2.16 Å. Both Mo(1)-F(2) bond lengths are 1.91 Å. O(1) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom.