YSb3Se2O8Cl crystallizes in the orthorhombic Pmmn space group. Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of edge and corner-sharing OYSb3 trigonal pyramids. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Y(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(1), one Sb(1), and one Se(1) atom. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms.
YSb3Se2O8Cl crystallizes in the orthorhombic Pmmn space group. Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Both Y(1)-O(1) bond lengths are 2.27 Å. Both Y(1)-O(2) bond lengths are 2.25 Å. All Y(1)-O(3) bond lengths are 2.84 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. Both Sb(1)-O(1) bond lengths are 2.28 Å. Both Sb(1)-O(3) bond lengths are 2.39 Å. Both Sb(1)-Cl(1) bond lengths are 3.12 Å. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. Both Sb(2)-O(1) bond lengths are 2.24 Å. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. The Se(1)-O(2) bond length is 1.74 Å. Both Se(1)-O(3) bond lengths are 1.74 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of edge and corner-sharing OYSb3 trigonal pyramids. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Y(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(1), one Sb(1), and one Se(1) atom. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms.