BaUPO6F crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), two equivalent O(4), and one F(1) atom. U(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent F(1) atoms to form distorted UO5F2 pentagonal bipyramids that share corners with two equivalent U(1)O5F2 pentagonal bipyramids and corners with three equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent U(1)O5F2 pentagonal bipyramids. There are six inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Ba(1) and one U(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one U(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one U(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one U(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Ba(1) and one U(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent U(1) atoms.
BaUPO6F crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), two equivalent O(4), and one F(1) atom. The Ba(1)-O(1) bond length is 2.92 Å. The Ba(1)-O(3) bond length is 2.92 Å. The Ba(1)-O(5) bond length is 2.95 Å. The Ba(1)-O(6) bond length is 3.01 Å. There is one shorter (2.93 Å) and one longer (3.28 Å) Ba(1)-O(2) bond length. There is one shorter (2.71 Å) and one longer (2.73 Å) Ba(1)-O(4) bond length. The Ba(1)-F(1) bond length is 2.88 Å. U(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent F(1) atoms to form distorted UO5F2 pentagonal bipyramids that share corners with two equivalent U(1)O5F2 pentagonal bipyramids and corners with three equivalent P(1)O4 tetrahedra. The U(1)-O(1) bond length is 2.33 Å. The U(1)-O(2) bond length is 2.42 Å. The U(1)-O(3) bond length is 2.34 Å. The U(1)-O(5) bond length is 1.82 Å. The U(1)-O(6) bond length is 1.81 Å. There is one shorter (2.40 Å) and one longer (2.42 Å) U(1)-F(1) bond length. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent U(1)O5F2 pentagonal bipyramids. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.53 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Ba(1) and one U(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one U(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one U(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one U(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Ba(1) and one U(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent U(1) atoms.