Cs2UH(OF2)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent H(1), one O(1), one O(2), one F(4), two equivalent F(2), and two equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent H(1), one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom. U(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form distorted edge-sharing UO2F5 pentagonal bipyramids. H(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Cs(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one U(1) atom. There are four inequivalent F sites. In the first F site, F(3) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one U(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Cs(1) and two equivalent U(1) atoms. In the third F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(2) and one U(1) atom. In the fourth F site, F(2) is bonded to one Cs(2), two equivalent Cs(1), and one U(1) atom to form distorted corner-sharing FCs3U tetrahedra.
Cs2UH(OF2)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent H(1), one O(1), one O(2), one F(4), two equivalent F(2), and two equivalent F(3) atoms. There is one shorter (3.34 Å) and one longer (3.40 Å) Cs(1)-H(1) bond length. The Cs(1)-O(1) bond length is 3.18 Å. The Cs(1)-O(2) bond length is 3.47 Å. The Cs(1)-F(4) bond length is 3.19 Å. There is one shorter (2.97 Å) and one longer (3.07 Å) Cs(1)-F(2) bond length. There is one shorter (2.97 Å) and one longer (3.31 Å) Cs(1)-F(3) bond length. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent H(1), one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom. There is one shorter (3.35 Å) and one longer (3.44 Å) Cs(2)-H(1) bond length. The Cs(2)-O(1) bond length is 3.02 Å. There is one shorter (3.19 Å) and one longer (3.38 Å) Cs(2)-O(2) bond length. The Cs(2)-F(1) bond length is 2.88 Å. The Cs(2)-F(2) bond length is 2.92 Å. The Cs(2)-F(3) bond length is 3.15 Å. U(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form distorted edge-sharing UO2F5 pentagonal bipyramids. The U(1)-O(1) bond length is 1.84 Å. The U(1)-O(2) bond length is 1.86 Å. The U(1)-F(1) bond length is 2.19 Å. The U(1)-F(2) bond length is 2.27 Å. The U(1)-F(3) bond length is 2.26 Å. There is one shorter (2.39 Å) and one longer (2.41 Å) U(1)-F(4) bond length. H(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Cs(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one U(1) atom. There are four inequivalent F sites. In the first F site, F(3) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one U(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Cs(1) and two equivalent U(1) atoms. In the third F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(2) and one U(1) atom. In the fourth F site, F(2) is bonded to one Cs(2), two equivalent Cs(1), and one U(1) atom to form distorted corner-sharing FCs3U tetrahedra.