Li4V5CuO15Cl crystallizes in the tetragonal P4 space group. Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one Cl(1) 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(4) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and  a cornercorner with one V(2)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(5) and four equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. Cu(1) is bonded in a 5-coordinate geometry to four equivalent O(2) and one Cl(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(2) atom. Cl(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Cu(1) atom.
Li4V5CuO15Cl crystallizes in the tetragonal P4 space group. Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one Cl(1) atom. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(3) bond length is 1.90 Å. The Li(1)-Cl(1) bond length is 2.49 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(4) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and  a cornercorner with one V(2)O5 trigonal bipyramid. The V(1)-O(1) bond length is 1.81 Å. The V(1)-O(2) bond length is 1.74 Å. The V(1)-O(3) bond length is 1.67 Å. The V(1)-O(4) bond length is 1.76 Å. In the second V site, V(2) is bonded to one O(5) and four equivalent O(4) atoms to form distorted corner-sharing VO5 trigonal bipyramids. The V(2)-O(5) bond length is 1.61 Å. All V(2)-O(4) bond lengths are 1.90 Å. Cu(1) is bonded in a 5-coordinate geometry to four equivalent O(2) and one Cl(1) atom. All Cu(1)-O(2) bond lengths are 1.97 Å. The Cu(1)-Cl(1) bond length is 2.57 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(2) atom. Cl(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Cu(1) atom.