LiU2O8Cl3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(7), one O(8), and one Cl(1) atom. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), one Cl(1), one Cl(3), and two equivalent Cl(2) atoms. In the second U site, U(2) is bonded in a 2-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(5), one Cl(1), and one Cl(3) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one U(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one U(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one U(2) and one Cl(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(1) and one O(8) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one U(1), one U(2), and one O(6) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent U(1) atoms. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one U(1) and one U(2) atom.
LiU2O8Cl3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(7), one O(8), and one Cl(1) atom. The Li(1)-O(1) bond length is 2.01 Å. The Li(1)-O(4) bond length is 2.00 Å. The Li(1)-O(7) bond length is 2.00 Å. The Li(1)-O(8) bond length is 2.50 Å. The Li(1)-Cl(1) bond length is 2.63 Å. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), one Cl(1), one Cl(3), and two equivalent Cl(2) atoms. The U(1)-O(1) bond length is 1.83 Å. The U(1)-O(2) bond length is 1.79 Å. The U(1)-O(5) bond length is 2.23 Å. The U(1)-Cl(1) bond length is 2.94 Å. The U(1)-Cl(3) bond length is 2.78 Å. There is one shorter (2.79 Å) and one longer (2.83 Å) U(1)-Cl(2) bond length. In the second U site, U(2) is bonded in a 2-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(5), one Cl(1), and one Cl(3) atom. The U(2)-O(3) bond length is 1.79 Å. The U(2)-O(4) bond length is 1.83 Å. The U(2)-O(6) bond length is 2.37 Å. There is one shorter (2.26 Å) and one longer (2.28 Å) U(2)-O(5) bond length. The U(2)-Cl(1) bond length is 2.92 Å. The U(2)-Cl(3) bond length is 2.76 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one U(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one U(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one U(2) and one Cl(1) atom. The O(6)-Cl(1) bond length is 2.39 Å. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(1) and one O(8) atom. The O(8)-O(8) bond length is 1.24 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one U(1), one U(2), and one O(6) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent U(1) atoms. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one U(1) and one U(2) atom.