Ba6MgSc2C2(O3F7)2 crystallizes in the monoclinic Cm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(2), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one F(1), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one F(3), two equivalent F(1), two equivalent F(2), two equivalent F(4), two equivalent F(6), and two equivalent F(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(5), and two equivalent F(8) atoms. Mg(1) is bonded in a T-shaped geometry to one F(3) and two equivalent F(7) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted pentagonal bipyramidal geometry to two equivalent O(3), one F(2), two equivalent F(4), and two equivalent F(6) atoms. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent F(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sc(2), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Sc(2), and one C(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Sc(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Ba(2) and one C(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ba(4) atom to form FBa4 tetrahedra that share corners with two equivalent F(8)Ba4 tetrahedra, corners with four equivalent F(6)Ba3Sc tetrahedra,  an edgeedge with one F(1)Ba4 tetrahedra, and edges with two equivalent F(8)Ba4 tetrahedra. In the second F site, F(2) is bonded in a distorted linear geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(3), and one Sc(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ba(3) and one Mg(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(4), and one Sc(2) atom. In the sixth F site, F(6) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom to form distorted FBa3Sc tetrahedra that share corners with two equivalent F(8)Ba4 tetrahedra, corners with four equivalent F(1)Ba4 tetrahedra,  an edgeedge with one F(6)Ba3Sc tetrahedra, and  an edgeedge with one F(8)Ba4 tetrahedra. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Mg(1) atom. In the eighth F site, F(8) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ba(4) atom to form FBa4 tetrahedra that share corners with two equivalent F(6)Ba3Sc tetrahedra, corners with two equivalent F(1)Ba4 tetrahedra,  an edgeedge with one F(6)Ba3Sc tetrahedra,  an edgeedge with one F(8)Ba4 tetrahedra, and edges with two equivalent F(1)Ba4 tetrahedra.
Ba6MgSc2C2(O3F7)2 crystallizes in the monoclinic Cm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(2), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. The Ba(1)-O(1) bond length is 3.10 Å. The Ba(1)-O(2) bond length is 3.11 Å. The Ba(1)-O(3) bond length is 3.29 Å. The Ba(1)-F(1) bond length is 2.62 Å. The Ba(1)-F(2) bond length is 3.09 Å. The Ba(1)-F(4) bond length is 2.85 Å. The Ba(1)-F(5) bond length is 2.85 Å. The Ba(1)-F(6) bond length is 2.77 Å. The Ba(1)-F(7) bond length is 2.60 Å. The Ba(1)-F(8) bond length is 2.58 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one F(1), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. The Ba(2)-O(2) bond length is 2.97 Å. The Ba(2)-O(4) bond length is 2.82 Å. The Ba(2)-F(1) bond length is 2.66 Å. The Ba(2)-F(4) bond length is 2.91 Å. The Ba(2)-F(5) bond length is 2.95 Å. The Ba(2)-F(6) bond length is 2.77 Å. The Ba(2)-F(7) bond length is 2.61 Å. The Ba(2)-F(8) bond length is 2.81 Å. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one F(3), two equivalent F(1), two equivalent F(2), two equivalent F(4), two equivalent F(6), and two equivalent F(8) atoms. The Ba(3)-F(3) bond length is 2.99 Å. Both Ba(3)-F(1) bond lengths are 2.74 Å. There is one shorter (3.17 Å) and one longer (3.24 Å) Ba(3)-F(2) bond length. Both Ba(3)-F(4) bond lengths are 2.99 Å. Both Ba(3)-F(6) bond lengths are 2.89 Å. Both Ba(3)-F(8) bond lengths are 2.77 Å. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(5), and two equivalent F(8) atoms. The Ba(4)-F(2) bond length is 2.64 Å. Both Ba(4)-F(1) bond lengths are 2.65 Å. Both Ba(4)-F(5) bond lengths are 2.86 Å. Both Ba(4)-F(8) bond lengths are 2.76 Å. Mg(1) is bonded in a T-shaped geometry to one F(3) and two equivalent F(7) atoms. The Mg(1)-F(3) bond length is 1.98 Å. Both Mg(1)-F(7) bond lengths are 1.96 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted pentagonal bipyramidal geometry to two equivalent O(3), one F(2), two equivalent F(4), and two equivalent F(6) atoms. Both Sc(1)-O(3) bond lengths are 2.25 Å. The Sc(1)-F(2) bond length is 2.16 Å. Both Sc(1)-F(4) bond lengths are 2.09 Å. Both Sc(1)-F(6) bond lengths are 2.09 Å. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent F(5) atoms. The Sc(2)-O(1) bond length is 2.40 Å. Both Sc(2)-O(2) bond lengths are 2.20 Å. Both Sc(2)-F(5) bond lengths are 2.03 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. The C(1)-O(1) bond length is 1.30 Å. Both C(1)-O(3) bond lengths are 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. The C(2)-O(4) bond length is 1.27 Å. Both C(2)-O(2) bond lengths are 1.32 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sc(2), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Sc(2), and one C(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Sc(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Ba(2) and one C(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ba(4) atom to form FBa4 tetrahedra that share corners with two equivalent F(8)Ba4 tetrahedra, corners with four equivalent F(6)Ba3Sc tetrahedra,  an edgeedge with one F(1)Ba4 tetrahedra, and edges with two equivalent F(8)Ba4 tetrahedra. In the second F site, F(2) is bonded in a distorted linear geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(3), and one Sc(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ba(3) and one Mg(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(4), and one Sc(2) atom. In the sixth F site, F(6) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Sc(1) atom to form distorted FBa3Sc tetrahedra that share corners with two equivalent F(8)Ba4 tetrahedra, corners with four equivalent F(1)Ba4 tetrahedra,  an edgeedge with one F(6)Ba3Sc tetrahedra, and  an edgeedge with one F(8)Ba4 tetrahedra. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Mg(1) atom. In the eighth F site, F(8) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ba(4) atom to form FBa4 tetrahedra that share corners with two equivalent F(6)Ba3Sc tetrahedra, corners with two equivalent F(1)Ba4 tetrahedra,  an edgeedge with one F(6)Ba3Sc tetrahedra,  an edgeedge with one F(8)Ba4 tetrahedra, and edges with two equivalent F(1)Ba4 tetrahedra.