Ba2BeS(OF)4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(4), one F(2), one F(3), one F(4), and two equivalent F(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), one F(2), one F(3), and one F(4) atom. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), one S(1), and one O(4) atom. In the fourth O site, O(4) is bonded to one Ba(2), two equivalent Ba(1), and one O(3) atom to form corner-sharing OBa3O tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Be(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Be(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Be(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Be(1) atom.
Ba2BeS(OF)4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), two equivalent O(4), one F(2), one F(3), one F(4), and two equivalent F(1) atoms. The Ba(1)-O(1) bond length is 3.04 Å. The Ba(1)-O(2) bond length is 2.87 Å. There is one shorter (2.66 Å) and one longer (2.72 Å) Ba(1)-O(4) bond length. The Ba(1)-F(2) bond length is 2.97 Å. The Ba(1)-F(3) bond length is 2.70 Å. The Ba(1)-F(4) bond length is 2.84 Å. There is one shorter (2.71 Å) and one longer (2.93 Å) Ba(1)-F(1) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), one F(2), one F(3), and one F(4) atom. The Ba(2)-O(3) bond length is 3.00 Å. The Ba(2)-O(4) bond length is 2.87 Å. There is one shorter (2.71 Å) and one longer (2.96 Å) Ba(2)-O(1) bond length. There is one shorter (2.82 Å) and one longer (2.96 Å) Ba(2)-O(2) bond length. The Ba(2)-F(2) bond length is 2.58 Å. The Ba(2)-F(3) bond length is 2.62 Å. The Ba(2)-F(4) bond length is 2.81 Å. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. The Be(1)-F(1) bond length is 1.55 Å. The Be(1)-F(2) bond length is 1.55 Å. The Be(1)-F(3) bond length is 1.56 Å. The Be(1)-F(4) bond length is 1.57 Å. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. The S(1)-O(1) bond length is 1.53 Å. The S(1)-O(2) bond length is 1.51 Å. The S(1)-O(3) bond length is 1.67 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), one S(1), and one O(4) atom. The O(3)-O(4) bond length is 1.47 Å. In the fourth O site, O(4) is bonded to one Ba(2), two equivalent Ba(1), and one O(3) atom to form corner-sharing OBa3O tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Be(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Be(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Be(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Be(1) atom.