K4MgV6O16 crystallizes in the tetragonal P4 space group. K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), two equivalent O(6), and three equivalent O(4) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(6) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one V(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent K(1) and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one V(1), and one V(2) atom.
K4MgV6O16 crystallizes in the tetragonal P4 space group. K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), two equivalent O(6), and three equivalent O(4) atoms. The K(1)-O(2) bond length is 3.24 Å. The K(1)-O(3) bond length is 3.05 Å. There is one shorter (2.83 Å) and one longer (3.03 Å) K(1)-O(6) bond length. There are a spread of K(1)-O(4) bond distances ranging from 2.78-3.35 Å. Mg(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. The Mg(1)-O(1) bond length is 1.82 Å. All Mg(1)-O(5) bond lengths are 2.14 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. The V(1)-O(3) bond length is 1.84 Å. The V(1)-O(4) bond length is 1.68 Å. The V(1)-O(5) bond length is 1.78 Å. The V(1)-O(6) bond length is 1.77 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(6) atoms. The V(2)-O(2) bond length is 1.67 Å. All V(2)-O(6) bond lengths are 1.99 Å. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(5) atoms. The V(3)-O(1) bond length is 1.76 Å. All V(3)-O(5) bond lengths are 2.08 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one V(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent K(1) and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one V(1), and one V(2) atom.