CsVOF4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent F(3), and six equivalent F(1) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(3), and two equivalent F(1) atoms. O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one V(1) atom.
CsVOF4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent F(3), and six equivalent F(1) atoms. There is one shorter (3.45 Å) and two longer (3.73 Å) Cs(1)-O(1) bond lengths. There is one shorter (3.21 Å) and two longer (3.61 Å) Cs(1)-F(3) bond lengths. There are a spread of Cs(1)-F(1) bond distances ranging from 3.11-3.44 Å. V(1) is bonded in a 5-coordinate geometry to one O(1), one F(2), one F(3), and two equivalent F(1) atoms. The V(1)-O(1) bond length is 1.61 Å. The V(1)-F(2) bond length is 1.85 Å. The V(1)-F(3) bond length is 1.83 Å. Both V(1)-F(1) bond lengths are 1.85 Å. O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one V(1) atom.