MgSb2(O2F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share edges with three equivalent Sb(2)O4F2 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form SbO4F2 octahedra that share edges with three equivalent Mg(1)O4F2 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one Sb(2) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one Sb(2) atom.
MgSb2(O2F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share edges with three equivalent Sb(2)O4F2 octahedra. The Mg(1)-O(1) bond length is 2.08 Å. The Mg(1)-O(2) bond length is 2.07 Å. The Mg(1)-O(3) bond length is 2.12 Å. The Mg(1)-O(4) bond length is 2.12 Å. The Mg(1)-F(1) bond length is 2.06 Å. The Mg(1)-F(2) bond length is 2.10 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Sb(1)-O(1) bond length is 2.03 Å. The Sb(1)-O(2) bond length is 2.24 Å. The Sb(1)-O(3) bond length is 2.29 Å. The Sb(1)-O(4) bond length is 2.07 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form SbO4F2 octahedra that share edges with three equivalent Mg(1)O4F2 octahedra. The Sb(2)-O(1) bond length is 1.99 Å. The Sb(2)-O(2) bond length is 1.96 Å. The Sb(2)-O(3) bond length is 1.97 Å. The Sb(2)-O(4) bond length is 2.04 Å. The Sb(2)-F(1) bond length is 2.03 Å. The Sb(2)-F(2) bond length is 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one Sb(2) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one Sb(2) atom.