Cs2MgV2Mn(O3Cl)2 crystallizes in the monoclinic P2 space group. Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. Mg(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one O(2), and two equivalent O(1) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. Mn(1) is bonded in a 3-coordinate geometry to two equivalent O(3), one Cl(1), and two equivalent Cl(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to four equivalent Cs(1) and one Mn(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ClCs4Mn2 octahedra. The corner-sharing octahedral tilt angles are 3°.
Cs2MgV2Mn(O3Cl)2 crystallizes in the monoclinic P2 space group. Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. The Cs(1)-Mg(1) bond length is 3.39 Å. The Cs(1)-O(3) bond length is 3.16 Å. The Cs(1)-O(4) bond length is 3.28 Å. There is one shorter (3.14 Å) and one longer (3.37 Å) Cs(1)-O(1) bond length. There is one shorter (3.31 Å) and one longer (4.03 Å) Cs(1)-Cl(1) bond length. There is one shorter (3.44 Å) and one longer (3.64 Å) Cs(1)-Cl(2) bond length. Mg(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one O(2), and two equivalent O(1) atoms. The Mg(1)-O(2) bond length is 1.92 Å. Both Mg(1)-O(1) bond lengths are 1.89 Å. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. The V(1)-O(1) bond length is 1.78 Å. The V(1)-O(2) bond length is 1.94 Å. The V(1)-O(3) bond length is 1.75 Å. The V(1)-O(4) bond length is 1.88 Å. Mn(1) is bonded in a 3-coordinate geometry to two equivalent O(3), one Cl(1), and two equivalent Cl(2) atoms. Both Mn(1)-O(3) bond lengths are 2.04 Å. The Mn(1)-Cl(1) bond length is 2.48 Å. Both Mn(1)-Cl(2) bond lengths are 2.97 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to four equivalent Cs(1) and one Mn(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ClCs4Mn2 octahedra. The corner-sharing octahedral tilt angles are 3°.