YV3Se2O8Cl crystallizes in the monoclinic P2_1/m space group. Y(1) is bonded in a body-centered cubic geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(4), and two equivalent Cl(1) atoms. In the second V site, V(2) is bonded in a 4-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent Cl(1) atoms. In the third V site, V(3) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one V(3), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OYV3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one V(3), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one V(3), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one V(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one V(2), and one Se(2) atom. In the sixth O site, O(6) is bonded to one Y(1), one V(3), and two equivalent V(2) atoms to form a mixture of edge and corner-sharing OYV3 tetrahedra. Cl(1) is bonded in a 4-coordinate geometry to two equivalent V(1) and two equivalent V(2) atoms.
YV3Se2O8Cl crystallizes in the monoclinic P2_1/m space group. Y(1) is bonded in a body-centered cubic geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Y(1)-O(1) bond length is 2.27 Å. The Y(1)-O(2) bond length is 2.55 Å. The Y(1)-O(3) bond length is 2.57 Å. The Y(1)-O(6) bond length is 2.22 Å. Both Y(1)-O(4) bond lengths are 2.51 Å. Both Y(1)-O(5) bond lengths are 2.51 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(4), and two equivalent Cl(1) atoms. Both V(1)-O(1) bond lengths are 2.02 Å. Both V(1)-O(4) bond lengths are 2.14 Å. Both V(1)-Cl(1) bond lengths are 3.14 Å. In the second V site, V(2) is bonded in a 4-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent Cl(1) atoms. Both V(2)-O(5) bond lengths are 2.16 Å. Both V(2)-O(6) bond lengths are 2.04 Å. Both V(2)-Cl(1) bond lengths are 3.02 Å. In the third V site, V(3) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one O(3), and one O(6) atom. The V(3)-O(1) bond length is 2.02 Å. The V(3)-O(2) bond length is 2.13 Å. The V(3)-O(3) bond length is 2.10 Å. The V(3)-O(6) bond length is 2.04 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. The Se(1)-O(2) bond length is 1.74 Å. Both Se(1)-O(4) bond lengths are 1.75 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(5) atoms. The Se(2)-O(3) bond length is 1.75 Å. Both Se(2)-O(5) bond lengths are 1.74 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one V(3), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OYV3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one V(3), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one V(3), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one V(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one V(2), and one Se(2) atom. In the sixth O site, O(6) is bonded to one Y(1), one V(3), and two equivalent V(2) atoms to form a mixture of edge and corner-sharing OYV3 tetrahedra. Cl(1) is bonded in a 4-coordinate geometry to two equivalent V(1) and two equivalent V(2) atoms.