Cs2MgMo2(O2F3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one F(3), one F(5), and two equivalent F(6) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one F(4), one F(6), and two equivalent F(5) atoms. Mg(1) is bonded to one O(3), one O(4), one F(3), and one F(4) atom to form distorted MgO2F2 tetrahedra that share  an edgeedge with one Mo(1)O2F4 octahedra and  an edgeedge with one Mo(2)O2F4 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one F(1), one F(2), one F(3), and one F(6) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(2)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(1)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cs(1), one Mg(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cs(2), one Mg(1), and one Mo(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Cs(1), one Mg(1), and one Mo(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Cs(2), one Mg(1), and one Mo(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom.
Cs2MgMo2(O2F3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one F(3), one F(5), and two equivalent F(6) atoms. The Cs(1)-O(1) bond length is 3.03 Å. The Cs(1)-O(2) bond length is 3.15 Å. The Cs(1)-O(3) bond length is 3.21 Å. The Cs(1)-F(3) bond length is 3.51 Å. The Cs(1)-F(5) bond length is 3.41 Å. There is one shorter (3.02 Å) and one longer (3.20 Å) Cs(1)-F(6) bond length. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one F(4), one F(6), and two equivalent F(5) atoms. The Cs(2)-O(1) bond length is 3.15 Å. The Cs(2)-O(2) bond length is 3.04 Å. The Cs(2)-O(4) bond length is 3.21 Å. The Cs(2)-F(4) bond length is 3.53 Å. The Cs(2)-F(6) bond length is 3.41 Å. There is one shorter (3.02 Å) and one longer (3.19 Å) Cs(2)-F(5) bond length. Mg(1) is bonded to one O(3), one O(4), one F(3), and one F(4) atom to form distorted MgO2F2 tetrahedra that share  an edgeedge with one Mo(1)O2F4 octahedra and  an edgeedge with one Mo(2)O2F4 octahedra. The Mg(1)-O(3) bond length is 1.95 Å. The Mg(1)-O(4) bond length is 1.95 Å. The Mg(1)-F(3) bond length is 1.97 Å. The Mg(1)-F(4) bond length is 1.97 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one F(1), one F(2), one F(3), and one F(6) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(2)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. The Mo(1)-O(1) bond length is 1.74 Å. The Mo(1)-O(4) bond length is 1.87 Å. The Mo(1)-F(1) bond length is 2.22 Å. The Mo(1)-F(2) bond length is 2.15 Å. The Mo(1)-F(3) bond length is 2.12 Å. The Mo(1)-F(6) bond length is 2.00 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(1)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. The Mo(2)-O(2) bond length is 1.74 Å. The Mo(2)-O(3) bond length is 1.87 Å. The Mo(2)-F(1) bond length is 2.15 Å. The Mo(2)-F(2) bond length is 2.22 Å. The Mo(2)-F(4) bond length is 2.12 Å. The Mo(2)-F(5) bond length is 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cs(1), one Mg(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cs(2), one Mg(1), and one Mo(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Cs(1), one Mg(1), and one Mo(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Cs(2), one Mg(1), and one Mo(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom.