UThCeS5 crystallizes in the orthorhombic Pna2_1 space group. U(1) is bonded to one S(1), one S(4), one S(5), two equivalent S(2), and two equivalent S(3) atoms to form distorted edge-sharing US7 pentagonal bipyramids. Th(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. Ce(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are five inequivalent S sites. In the first S site, S(1) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with five equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(4)Ce2Th2U square pyramid, edges with two equivalent S(1)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids,  an edgeedge with one S(3)CeThU2 trigonal pyramid, and  a faceface with one S(4)Ce2Th2U square pyramid. In the second S site, S(2) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 tetrahedra that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids, and  an edgeedge with one S(3)CeThU2 trigonal pyramid. In the third S site, S(3) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 trigonal pyramids that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, and edges with two equivalent S(5)Ce2Th2U trigonal bipyramids. In the fourth S site, S(4) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(4)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra,  a cornercorner with one S(5)Ce2Th2U trigonal bipyramid, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(2)CeThU2 tetrahedra, edges with four equivalent S(5)Ce2Th2U trigonal bipyramids, edges with two equivalent S(3)CeThU2 trigonal pyramids, and  a faceface with one S(1)Ce2Th2U square pyramid. In the fifth S site, S(5) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form distorted SCe2Th2U trigonal bipyramids that share  a cornercorner with one S(4)Ce2Th2U square pyramid, corners with five equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with four equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids, edges with two equivalent S(1)Ce2Th2U square pyramids, edges with four equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(2)CeThU2 tetrahedra, and edges with two equivalent S(3)CeThU2 trigonal pyramids.
UThCeS5 crystallizes in the orthorhombic Pna2_1 space group. U(1) is bonded to one S(1), one S(4), one S(5), two equivalent S(2), and two equivalent S(3) atoms to form distorted edge-sharing US7 pentagonal bipyramids. The U(1)-S(1) bond length is 2.89 Å. The U(1)-S(4) bond length is 2.80 Å. The U(1)-S(5) bond length is 2.81 Å. There is one shorter (2.68 Å) and one longer (2.72 Å) U(1)-S(2) bond length. There is one shorter (2.68 Å) and one longer (2.73 Å) U(1)-S(3) bond length. Th(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. The Th(1)-S(2) bond length is 2.86 Å. The Th(1)-S(3) bond length is 2.85 Å. There is one shorter (2.93 Å) and one longer (2.96 Å) Th(1)-S(1) bond length. There is one shorter (2.88 Å) and one longer (2.93 Å) Th(1)-S(4) bond length. There is one shorter (2.93 Å) and one longer (3.04 Å) Th(1)-S(5) bond length. Ce(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. The Ce(1)-S(2) bond length is 2.91 Å. The Ce(1)-S(3) bond length is 2.91 Å. There is one shorter (2.93 Å) and one longer (2.96 Å) Ce(1)-S(1) bond length. There is one shorter (2.89 Å) and one longer (2.91 Å) Ce(1)-S(4) bond length. There is one shorter (2.95 Å) and one longer (3.02 Å) Ce(1)-S(5) bond length. There are five inequivalent S sites. In the first S site, S(1) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with five equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(4)Ce2Th2U square pyramid, edges with two equivalent S(1)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids,  an edgeedge with one S(3)CeThU2 trigonal pyramid, and  a faceface with one S(4)Ce2Th2U square pyramid. In the second S site, S(2) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 tetrahedra that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids, and  an edgeedge with one S(3)CeThU2 trigonal pyramid. In the third S site, S(3) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 trigonal pyramids that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, and edges with two equivalent S(5)Ce2Th2U trigonal bipyramids. In the fourth S site, S(4) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(4)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra,  a cornercorner with one S(5)Ce2Th2U trigonal bipyramid, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(2)CeThU2 tetrahedra, edges with four equivalent S(5)Ce2Th2U trigonal bipyramids, edges with two equivalent S(3)CeThU2 trigonal pyramids, and  a faceface with one S(1)Ce2Th2U square pyramid. In the fifth S site, S(5) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form distorted SCe2Th2U trigonal bipyramids that share  a cornercorner with one S(4)Ce2Th2U square pyramid, corners with five equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with four equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids, edges with two equivalent S(1)Ce2Th2U square pyramids, edges with four equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(2)CeThU2 tetrahedra, and edges with two equivalent S(3)CeThU2 trigonal pyramids.