Zr(U5Ti2)2 crystallizes in the orthorhombic Cmmm space group. There are five inequivalent U sites. In the first U site, U(1) is bonded in a 11-coordinate geometry to one U(4), two equivalent U(1), two equivalent U(5), two equivalent Zr(1), and four equivalent Ti(1) atoms. In the second U site, U(2) is bonded in a distorted q6 geometry to one U(3), two equivalent U(2), two equivalent U(4), two equivalent Ti(1), and four equivalent Ti(2) atoms. In the third U site, U(3) is bonded in a distorted q6 geometry to one U(2), four equivalent U(3), and six equivalent Ti(2) atoms. In the fourth U site, U(4) is bonded in a distorted q6 geometry to one U(1), two equivalent U(2), two equivalent U(4), two equivalent Ti(2), and four equivalent Ti(1) atoms. In the fifth U site, U(5) is bonded in a 11-coordinate geometry to two equivalent U(1), three equivalent U(5), four equivalent Zr(1), and two equivalent Ti(1) atoms. Zr(1) is bonded in a 14-coordinate geometry to four equivalent U(1), eight equivalent U(5), and two equivalent Zr(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to two equivalent U(2), two equivalent U(5), four equivalent U(1), four equivalent U(4), and two equivalent Ti(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent U(4), four equivalent U(2), six equivalent U(3), and two equivalent Ti(2) atoms.
Zr(U5Ti2)2 crystallizes in the orthorhombic Cmmm space group. There are five inequivalent U sites. In the first U site, U(1) is bonded in a 11-coordinate geometry to one U(4), two equivalent U(1), two equivalent U(5), two equivalent Zr(1), and four equivalent Ti(1) atoms. The U(1)-U(4) bond length is 2.74 Å. Both U(1)-U(1) bond lengths are 2.83 Å. Both U(1)-U(5) bond lengths are 2.78 Å. Both U(1)-Zr(1) bond lengths are 3.26 Å. All U(1)-Ti(1) bond lengths are 3.11 Å. In the second U site, U(2) is bonded in a distorted q6 geometry to one U(3), two equivalent U(2), two equivalent U(4), two equivalent Ti(1), and four equivalent Ti(2) atoms. The U(2)-U(3) bond length is 2.77 Å. Both U(2)-U(2) bond lengths are 2.83 Å. Both U(2)-U(4) bond lengths are 2.77 Å. Both U(2)-Ti(1) bond lengths are 3.09 Å. All U(2)-Ti(2) bond lengths are 3.12 Å. In the third U site, U(3) is bonded in a distorted q6 geometry to one U(2), four equivalent U(3), and six equivalent Ti(2) atoms. There are two shorter (2.78 Å) and two longer (2.83 Å) U(3)-U(3) bond lengths. There are two shorter (3.09 Å) and four longer (3.12 Å) U(3)-Ti(2) bond lengths. In the fourth U site, U(4) is bonded in a distorted q6 geometry to one U(1), two equivalent U(2), two equivalent U(4), two equivalent Ti(2), and four equivalent Ti(1) atoms. Both U(4)-U(4) bond lengths are 2.83 Å. Both U(4)-Ti(2) bond lengths are 3.09 Å. All U(4)-Ti(1) bond lengths are 3.12 Å. In the fifth U site, U(5) is bonded in a 11-coordinate geometry to two equivalent U(1), three equivalent U(5), four equivalent Zr(1), and two equivalent Ti(1) atoms. There are two shorter (2.83 Å) and one longer (3.13 Å) U(5)-U(5) bond length. All U(5)-Zr(1) bond lengths are 3.20 Å. Both U(5)-Ti(1) bond lengths are 3.07 Å. Zr(1) is bonded in a 14-coordinate geometry to four equivalent U(1), eight equivalent U(5), and two equivalent Zr(1) atoms. Both Zr(1)-Zr(1) bond lengths are 2.83 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to two equivalent U(2), two equivalent U(5), four equivalent U(1), four equivalent U(4), and two equivalent Ti(1) atoms. Both Ti(1)-Ti(1) bond lengths are 2.83 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to two equivalent U(4), four equivalent U(2), six equivalent U(3), and two equivalent Ti(2) atoms. Both Ti(2)-Ti(2) bond lengths are 2.83 Å.