Cs2MnSO4F3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), one F(1), one F(3), and two equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), one F(2), one F(3), and two equivalent F(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(1)O2F4 octahedra and  a cornercorner with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(2), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one S(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom.
Cs2MnSO4F3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), one F(1), one F(3), and two equivalent F(2) atoms. The Cs(1)-O(1) bond length is 3.27 Å. The Cs(1)-O(2) bond length is 3.71 Å. The Cs(1)-O(4) bond length is 3.29 Å. There is one shorter (3.11 Å) and one longer (3.38 Å) Cs(1)-O(3) bond length. The Cs(1)-F(1) bond length is 3.01 Å. The Cs(1)-F(3) bond length is 3.18 Å. There is one shorter (3.21 Å) and one longer (3.27 Å) Cs(1)-F(2) bond length. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), one F(2), one F(3), and two equivalent F(1) atoms. The Cs(2)-O(1) bond length is 3.59 Å. The Cs(2)-O(2) bond length is 3.25 Å. The Cs(2)-O(3) bond length is 3.13 Å. There is one shorter (3.13 Å) and one longer (3.29 Å) Cs(2)-O(4) bond length. The Cs(2)-F(2) bond length is 3.09 Å. The Cs(2)-F(3) bond length is 3.19 Å. There is one shorter (3.24 Å) and one longer (3.25 Å) Cs(2)-F(1) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. Both Mn(1)-O(2) bond lengths are 1.98 Å. Both Mn(1)-F(1) bond lengths are 1.88 Å. Both Mn(1)-F(3) bond lengths are 2.20 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. Both Mn(2)-O(1) bond lengths are 2.19 Å. Both Mn(2)-F(2) bond lengths are 1.87 Å. Both Mn(2)-F(3) bond lengths are 1.96 Å. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(1)O2F4 octahedra and  a cornercorner with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. The S(1)-O(1) bond length is 1.50 Å. The S(1)-O(2) bond length is 1.54 Å. The S(1)-O(3) bond length is 1.47 Å. The S(1)-O(4) bond length is 1.47 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(2), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one S(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom.