CsMgV2O5 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing VO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one V(1), and one V(2) atom.
CsMgV2O5 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. The Cs(1)-O(2) bond length is 3.18 Å. The Cs(1)-O(3) bond length is 3.01 Å. The Cs(1)-O(4) bond length is 2.80 Å. The Cs(1)-O(5) bond length is 2.99 Å. There is one shorter (3.06 Å) and one longer (3.12 Å) Cs(1)-O(1) bond length. Mg(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. The Mg(1)-O(2) bond length is 2.13 Å. The Mg(1)-O(3) bond length is 1.96 Å. The Mg(1)-O(4) bond length is 1.92 Å. The Mg(1)-O(5) bond length is 2.02 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing VO4 tetrahedra. The V(1)-O(1) bond length is 1.86 Å. The V(1)-O(2) bond length is 1.87 Å. The V(1)-O(3) bond length is 1.75 Å. The V(1)-O(5) bond length is 1.91 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing VO4 tetrahedra. The V(2)-O(1) bond length is 1.94 Å. The V(2)-O(2) bond length is 2.03 Å. The V(2)-O(4) bond length is 1.79 Å. The V(2)-O(5) bond length is 2.05 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mg(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one V(1), and one V(2) atom.