Cs2MgMo2(O2F3)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent F(2), and three equivalent F(3) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Mo(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form corner-sharing MoO2F4 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one Mo(1) atom. There are three 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. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Mo(1) atom.
Cs2MgMo2(O2F3)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent F(2), and three equivalent F(3) atoms. Both Cs(1)-O(1) bond lengths are 3.34 Å. There is one shorter (3.20 Å) and two longer (3.50 Å) Cs(1)-F(2) bond lengths. There are two shorter (2.96 Å) and one longer (3.26 Å) Cs(1)-F(3) bond length. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.00 Å. Mo(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form corner-sharing MoO2F4 octahedra. The corner-sharing octahedra are not tilted. Both Mo(1)-O(1) bond lengths are 1.83 Å. The Mo(1)-F(2) bond length is 1.99 Å. The Mo(1)-F(3) bond length is 2.01 Å. Both Mo(1)-F(1) bond lengths are 2.16 Å. O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one Mo(1) atom. There are three 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. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Mo(1) atom.