CsU(OF)3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms. U(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and two equivalent F(1) atoms to form distorted edge-sharing UO3F4 pentagonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one U(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one U(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cs(1) and one U(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one U(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one U(1) atom.
CsU(OF)3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms. The Cs(1)-O(3) bond length is 3.34 Å. There is one shorter (3.27 Å) and one longer (3.36 Å) Cs(1)-O(1) bond length. There is one shorter (3.16 Å) and one longer (3.65 Å) Cs(1)-O(2) bond length. Both Cs(1)-F(2) bond lengths are 3.01 Å. There is one shorter (3.18 Å) and one longer (3.22 Å) Cs(1)-F(3) bond length. U(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and two equivalent F(1) atoms to form distorted edge-sharing UO3F4 pentagonal bipyramids. The U(1)-O(1) bond length is 1.83 Å. The U(1)-O(2) bond length is 1.83 Å. The U(1)-O(3) bond length is 2.42 Å. The U(1)-F(2) bond length is 2.17 Å. The U(1)-F(3) bond length is 2.23 Å. There is one shorter (2.35 Å) and one longer (2.37 Å) U(1)-F(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one U(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one U(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cs(1) and one U(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one U(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs(1) and one U(1) atom.