U2TeSeS2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(2) atoms. In the second U site, U(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(1) atoms. Te(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. Se(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent U(2) atoms. In the second S site, S(2) is bonded in a square co-planar geometry to four equivalent U(1) atoms.
U2TeSeS2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(2) atoms. Both U(1)-Te(1) bond lengths are 3.05 Å. There is one shorter (3.06 Å) and one longer (3.31 Å) U(1)-Se(1) bond length. There are two shorter (2.67 Å) and two longer (2.76 Å) U(1)-S(2) bond lengths. In the second U site, U(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Se(1), and four equivalent S(1) atoms. There is one shorter (3.31 Å) and one longer (3.39 Å) U(2)-Te(1) bond length. Both U(2)-Se(1) bond lengths are 2.87 Å. There are two shorter (2.74 Å) and two longer (2.78 Å) U(2)-S(1) bond lengths. Te(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. Se(1) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent U(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent U(2) atoms. In the second S site, S(2) is bonded in a square co-planar geometry to four equivalent U(1) atoms.