UOCl2 crystallizes in the orthorhombic Pbam space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(3), one Cl(6), two equivalent Cl(2), and two equivalent Cl(5) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(6) atoms. In the third U site, U(3) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), one Cl(1), one Cl(3), and two equivalent Cl(4) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one U(1) and two equivalent U(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the third O site, O(3) is bonded to one U(2), one U(3), and two equivalent U(1) atoms to form corner-sharing OU4 tetrahedra. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one U(2) and one U(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one U(2) and two equivalent U(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one U(2) and one U(3) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to two equivalent U(3) atoms. In the fifth Cl site, Cl(5) is bonded in an L-shaped geometry to two equivalent U(1) atoms. In the sixth Cl site, Cl(6) is bonded in a distorted T-shaped geometry to one U(1) and two equivalent U(2) atoms.
UOCl2 crystallizes in the orthorhombic Pbam space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(3), one Cl(6), two equivalent Cl(2), and two equivalent Cl(5) atoms. The U(1)-O(1) bond length is 2.23 Å. The U(1)-O(2) bond length is 2.31 Å. Both U(1)-O(3) bond lengths are 2.36 Å. The U(1)-Cl(6) bond length is 3.05 Å. Both U(1)-Cl(2) bond lengths are 2.91 Å. Both U(1)-Cl(5) bond lengths are 2.83 Å. In the second U site, U(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(6) atoms. The U(2)-O(3) bond length is 2.33 Å. Both U(2)-O(2) bond lengths are 2.15 Å. The U(2)-Cl(1) bond length is 2.75 Å. The U(2)-Cl(2) bond length is 3.07 Å. The U(2)-Cl(3) bond length is 2.79 Å. Both U(2)-Cl(6) bond lengths are 2.92 Å. In the third U site, U(3) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), one Cl(1), one Cl(3), and two equivalent Cl(4) atoms. The U(3)-O(3) bond length is 2.28 Å. Both U(3)-O(1) bond lengths are 2.22 Å. The U(3)-Cl(1) bond length is 2.78 Å. The U(3)-Cl(3) bond length is 2.75 Å. Both U(3)-Cl(4) bond lengths are 2.80 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one U(1) and two equivalent U(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the third O site, O(3) is bonded to one U(2), one U(3), and two equivalent U(1) atoms to form corner-sharing OU4 tetrahedra. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one U(2) and one U(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one U(2) and two equivalent U(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one U(2) and one U(3) atom. In the fourth Cl site, Cl(4) is bonded in an L-shaped geometry to two equivalent U(3) atoms. In the fifth Cl site, Cl(5) is bonded in an L-shaped geometry to two equivalent U(1) atoms. In the sixth Cl site, Cl(6) is bonded in a distorted T-shaped geometry to one U(1) and two equivalent U(2) atoms.