CsUTiTe5 crystallizes in the orthorhombic Pmma space group. Cs(1) is bonded to two equivalent Te(3), four equivalent Te(1), and six equivalent Te(2) atoms to form distorted CsTe12 cuboctahedra that share corners with two equivalent Cs(1)Te12 cuboctahedra, corners with four equivalent Ti(1)Te6 octahedra, edges with four equivalent Cs(1)Te12 cuboctahedra, faces with two equivalent Cs(1)Te12 cuboctahedra, and faces with four equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 18°. U(1) is bonded in a 8-coordinate geometry to two equivalent Te(2), two equivalent Te(3), and four equivalent Te(1) atoms. Ti(1) is bonded to two equivalent Te(3) and four equivalent Te(2) atoms to form TiTe6 octahedra that share corners with four equivalent Cs(1)Te12 cuboctahedra, faces with four equivalent Cs(1)Te12 cuboctahedra, and faces with two equivalent Ti(1)Te6 octahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent U(1), and two equivalent Te(1) atoms. In the second Te site, Te(2) is bonded to three equivalent Cs(1), one U(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeCs3UTi2 octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent U(1), and two equivalent Ti(1) atoms.
CsUTiTe5 crystallizes in the orthorhombic Pmma space group. Cs(1) is bonded to two equivalent Te(3), four equivalent Te(1), and six equivalent Te(2) atoms to form distorted CsTe12 cuboctahedra that share corners with two equivalent Cs(1)Te12 cuboctahedra, corners with four equivalent Ti(1)Te6 octahedra, edges with four equivalent Cs(1)Te12 cuboctahedra, faces with two equivalent Cs(1)Te12 cuboctahedra, and faces with four equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 18°. Both Cs(1)-Te(3) bond lengths are 4.28 Å. All Cs(1)-Te(1) bond lengths are 4.00 Å. There are four shorter (3.96 Å) and two longer (4.03 Å) Cs(1)-Te(2) bond lengths. U(1) is bonded in a 8-coordinate geometry to two equivalent Te(2), two equivalent Te(3), and four equivalent Te(1) atoms. Both U(1)-Te(2) bond lengths are 3.06 Å. Both U(1)-Te(3) bond lengths are 3.28 Å. All U(1)-Te(1) bond lengths are 3.13 Å. Ti(1) is bonded to two equivalent Te(3) and four equivalent Te(2) atoms to form TiTe6 octahedra that share corners with four equivalent Cs(1)Te12 cuboctahedra, faces with four equivalent Cs(1)Te12 cuboctahedra, and faces with two equivalent Ti(1)Te6 octahedra. Both Ti(1)-Te(3) bond lengths are 2.80 Å. All Ti(1)-Te(2) bond lengths are 2.81 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent U(1), and two equivalent Te(1) atoms. Both Te(1)-Te(1) bond lengths are 3.10 Å. In the second Te site, Te(2) is bonded to three equivalent Cs(1), one U(1), and two equivalent Ti(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeCs3UTi2 octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent U(1), and two equivalent Ti(1) atoms.