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UCl3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. U3+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are six shorter (2.91 Å) and three longer (2.96 Å) U–Cl bond lengths. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent U3+ atoms.
UCl4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are four shorter (2.65 Å) and four longer (2.93 Å) U–Cl bond lengths. Cl1- is bonded in a distorted water-like geometry to two equivalent U4+ atoms.
UCl6 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of three hexachlorouranium molecules. U6+ is bonded in an octahedral geometry to six Cl1- atoms. All U–Cl bond lengths are 2.47 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one U6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U6+ atom.
UCl5 is Copper structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UCl5 clusters. U5+ is bonded to six Cl1- atoms to form edge-sharing UCl6 octahedra. There are a spread of U–Cl bond distances ranging from 2.47–2.73 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom.
U3Cl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to four equivalent Cl atoms. All U–Cl bond lengths are 3.09 Å. In the second U site, U is bonded in a square co-planar geometry to four equivalent Cl atoms. All U–Cl bond lengths are 2.89 Å. Cl is bonded to twelve U atoms to form a mixture of edge, face, and corner-sharing ClU12 cuboctahedra.
U3Cl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded in a square co-planar geometry to four equivalent Cl atoms. All U–Cl bond lengths are 3.00 Å. Cl is bonded to twelve equivalent U atoms to form a mixture of corner and face-sharing ClU12 cuboctahedra.