UY2S3O2 crystallizes in the tetragonal I4mm space group. U(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent O(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Y(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Y(1) and four equivalent Y(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. O(1) is bonded to two equivalent U(1) and two equivalent Y(2) atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra.
UY2S3O2 crystallizes in the tetragonal I4mm space group. U(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. All U(1)-S(1) bond lengths are 3.02 Å. All U(1)-O(1) bond lengths are 2.25 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles are 2°. The Y(1)-S(1) bond length is 2.77 Å. The Y(1)-S(2) bond length is 2.74 Å. All Y(1)-S(3) bond lengths are 2.71 Å. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent O(1) atoms. All Y(2)-S(2) bond lengths are 2.96 Å. All Y(2)-O(1) bond lengths are 2.36 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Y(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Y(1) and four equivalent Y(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to four equivalent Y(1) atoms. O(1) is bonded to two equivalent U(1) and two equivalent Y(2) atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra.