Ba6MgSc2C2(O3F7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(10), one F(11), one F(14), one F(4), one F(5), and one F(9) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), one O(5), one F(11), one F(13), one F(3), one F(4), one F(6), one F(7), and one F(8) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(12), one F(13), one F(6), one F(7), and one F(8) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(12), one F(2), one F(3), one F(7), one F(8), and one F(9) atom. In the fifth Ba site, Ba(5) is bonded in a 10-coordinate geometry to one F(1), one F(10), one F(11), one F(12), one F(13), one F(14), one F(2), one F(3), one F(4), and one F(6) atom. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to one O(4), one O(5), one O(6), one F(1), one F(10), one F(12), one F(14), one F(5), and one F(9) atom. Mg(1) is bonded in a distorted T-shaped geometry to one O(2), one F(4), and one F(5) atom. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a pentagonal bipyramidal geometry to one O(3), one O(4), one F(2), one F(5), one F(7), one F(8), and one F(9) atom. In the second Sc site, Sc(2) is bonded in a distorted pentagonal bipyramidal geometry to one O(2), one O(6), one F(10), one F(13), one F(14), one F(3), and one F(6) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Mg(1), one Sc(2), and one C(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), one Sc(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(6), one Sc(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(6), one Sc(2), and one C(2) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded to one Ba(3), one Ba(4), one Ba(5), and one Ba(6) atom to form FBa4 tetrahedra that share corners with two equivalent F(10)Ba3Sc tetrahedra, corners with two equivalent F(7)Ba3Sc tetrahedra, corners with two equivalent F(11)Ba4 trigonal pyramids, and edges with two equivalent F(12)Ba4 trigonal pyramids. In the second F site, F(2) is bonded in a 1-coordinate geometry to one Ba(4), one Ba(5), and one Sc(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), and one Sc(2) atom. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), and one Mg(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(6), one Mg(1), and one Sc(1) atom. In the sixth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Ba(3), one Ba(5), and one Sc(2) atom. In the seventh F site, F(7) is bonded to one Ba(2), one Ba(3), one Ba(4), and one Sc(1) atom to form a mixture of distorted edge and corner-sharing FBa3Sc tetrahedra. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ba(4), and one Sc(1) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ba(6), and one Sc(1) atom. In the tenth F site, F(10) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Sc(2) atom to form a mixture of distorted edge and corner-sharing FBa3Sc tetrahedra. In the eleventh F site, F(11) is bonded to one Ba(1), one Ba(2), one Ba(4), and one Ba(5) atom to form distorted FBa4 trigonal pyramids that share corners with two equivalent F(10)Ba3Sc tetrahedra, corners with two equivalent F(7)Ba3Sc tetrahedra, corners with two equivalent F(1)Ba4 tetrahedra, and  an edgeedge with one F(12)Ba4 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Ba(3), one Ba(4), one Ba(5), and one Ba(6) atom to form FBa4 trigonal pyramids that share  an edgeedge with one F(10)Ba3Sc tetrahedra,  an edgeedge with one F(7)Ba3Sc tetrahedra, edges with two equivalent F(1)Ba4 tetrahedra, and  an edgeedge with one F(11)Ba4 trigonal pyramid. In the thirteenth F site, F(13) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), and one Sc(2) atom. In the fourteenth F site, F(14) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(6), and one Sc(2) atom.
Ba6MgSc2C2(O3F7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(10), one F(11), one F(14), one F(4), one F(5), and one F(9) atom. The Ba(1)-O(1) bond length is 2.76 Å. The Ba(1)-O(2) bond length is 2.97 Å. The Ba(1)-F(10) bond length is 2.75 Å. The Ba(1)-F(11) bond length is 2.65 Å. The Ba(1)-F(14) bond length is 3.06 Å. The Ba(1)-F(4) bond length is 2.79 Å. The Ba(1)-F(5) bond length is 2.80 Å. The Ba(1)-F(9) bond length is 2.98 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), one O(5), one F(11), one F(13), one F(3), one F(4), one F(6), one F(7), and one F(8) atom. The Ba(2)-O(3) bond length is 2.98 Å. The Ba(2)-O(5) bond length is 2.77 Å. The Ba(2)-F(11) bond length is 2.73 Å. The Ba(2)-F(13) bond length is 2.80 Å. The Ba(2)-F(3) bond length is 2.95 Å. The Ba(2)-F(4) bond length is 2.79 Å. The Ba(2)-F(6) bond length is 2.79 Å. The Ba(2)-F(7) bond length is 2.71 Å. The Ba(2)-F(8) bond length is 3.19 Å. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(12), one F(13), one F(6), one F(7), and one F(8) atom. The Ba(3)-O(1) bond length is 2.72 Å. The Ba(3)-F(1) bond length is 2.60 Å. The Ba(3)-F(12) bond length is 2.76 Å. The Ba(3)-F(13) bond length is 2.78 Å. The Ba(3)-F(6) bond length is 2.80 Å. The Ba(3)-F(7) bond length is 2.75 Å. The Ba(3)-F(8) bond length is 2.97 Å. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(12), one F(2), one F(3), one F(7), one F(8), and one F(9) atom. The Ba(4)-F(1) bond length is 2.68 Å. The Ba(4)-F(11) bond length is 2.81 Å. The Ba(4)-F(12) bond length is 2.73 Å. The Ba(4)-F(2) bond length is 2.85 Å. The Ba(4)-F(3) bond length is 2.95 Å. The Ba(4)-F(7) bond length is 2.73 Å. The Ba(4)-F(8) bond length is 2.96 Å. The Ba(4)-F(9) bond length is 2.95 Å. In the fifth Ba site, Ba(5) is bonded in a 10-coordinate geometry to one F(1), one F(10), one F(11), one F(12), one F(13), one F(14), one F(2), one F(3), one F(4), and one F(6) atom. The Ba(5)-F(1) bond length is 2.91 Å. The Ba(5)-F(10) bond length is 3.09 Å. The Ba(5)-F(11) bond length is 2.61 Å. The Ba(5)-F(12) bond length is 2.79 Å. The Ba(5)-F(13) bond length is 3.34 Å. The Ba(5)-F(14) bond length is 2.84 Å. The Ba(5)-F(2) bond length is 2.72 Å. The Ba(5)-F(3) bond length is 2.72 Å. The Ba(5)-F(4) bond length is 3.06 Å. The Ba(5)-F(6) bond length is 2.93 Å. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to one O(4), one O(5), one O(6), one F(1), one F(10), one F(12), one F(14), one F(5), and one F(9) atom. The Ba(6)-O(4) bond length is 2.93 Å. The Ba(6)-O(5) bond length is 2.71 Å. The Ba(6)-O(6) bond length is 3.11 Å. The Ba(6)-F(1) bond length is 2.67 Å. The Ba(6)-F(10) bond length is 2.83 Å. The Ba(6)-F(12) bond length is 2.71 Å. The Ba(6)-F(14) bond length is 3.36 Å. The Ba(6)-F(5) bond length is 3.04 Å. The Ba(6)-F(9) bond length is 2.84 Å. Mg(1) is bonded in a distorted T-shaped geometry to one O(2), one F(4), and one F(5) atom. The Mg(1)-O(2) bond length is 2.32 Å. The Mg(1)-F(4) bond length is 1.97 Å. The Mg(1)-F(5) bond length is 2.05 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a pentagonal bipyramidal geometry to one O(3), one O(4), one F(2), one F(5), one F(7), one F(8), and one F(9) atom. The Sc(1)-O(3) bond length is 2.23 Å. The Sc(1)-O(4) bond length is 2.22 Å. The Sc(1)-F(2) bond length is 2.13 Å. The Sc(1)-F(5) bond length is 2.13 Å. The Sc(1)-F(7) bond length is 2.16 Å. The Sc(1)-F(8) bond length is 2.08 Å. The Sc(1)-F(9) bond length is 2.03 Å. In the second Sc site, Sc(2) is bonded in a distorted pentagonal bipyramidal geometry to one O(2), one O(6), one F(10), one F(13), one F(14), one F(3), and one F(6) atom. The Sc(2)-O(2) bond length is 2.25 Å. The Sc(2)-O(6) bond length is 2.24 Å. The Sc(2)-F(10) bond length is 2.11 Å. The Sc(2)-F(13) bond length is 2.05 Å. The Sc(2)-F(14) bond length is 2.07 Å. The Sc(2)-F(3) bond length is 2.11 Å. The Sc(2)-F(6) bond length is 2.15 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), one O(3), and one O(4) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(3) bond length is 1.31 Å. The C(1)-O(4) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. The C(2)-O(2) bond length is 1.33 Å. The C(2)-O(5) bond length is 1.27 Å. The C(2)-O(6) bond length is 1.30 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Mg(1), one Sc(2), and one C(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), one Sc(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(6), one Sc(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(6), and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(6), one Sc(2), and one C(2) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded to one Ba(3), one Ba(4), one Ba(5), and one Ba(6) atom to form FBa4 tetrahedra that share corners with two equivalent F(10)Ba3Sc tetrahedra, corners with two equivalent F(7)Ba3Sc tetrahedra, corners with two equivalent F(11)Ba4 trigonal pyramids, and edges with two equivalent F(12)Ba4 trigonal pyramids. In the second F site, F(2) is bonded in a 1-coordinate geometry to one Ba(4), one Ba(5), and one Sc(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), and one Sc(2) atom. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), and one Mg(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(6), one Mg(1), and one Sc(1) atom. In the sixth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Ba(3), one Ba(5), and one Sc(2) atom. In the seventh F site, F(7) is bonded to one Ba(2), one Ba(3), one Ba(4), and one Sc(1) atom to form a mixture of distorted edge and corner-sharing FBa3Sc tetrahedra. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ba(4), and one Sc(1) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ba(6), and one Sc(1) atom. In the tenth F site, F(10) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Sc(2) atom to form a mixture of distorted edge and corner-sharing FBa3Sc tetrahedra. In the eleventh F site, F(11) is bonded to one Ba(1), one Ba(2), one Ba(4), and one Ba(5) atom to form distorted FBa4 trigonal pyramids that share corners with two equivalent F(10)Ba3Sc tetrahedra, corners with two equivalent F(7)Ba3Sc tetrahedra, corners with two equivalent F(1)Ba4 tetrahedra, and  an edgeedge with one F(12)Ba4 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Ba(3), one Ba(4), one Ba(5), and one Ba(6) atom to form FBa4 trigonal pyramids that share  an edgeedge with one F(10)Ba3Sc tetrahedra,  an edgeedge with one F(7)Ba3Sc tetrahedra, edges with two equivalent F(1)Ba4 tetrahedra, and  an edgeedge with one F(11)Ba4 trigonal pyramid. In the thirteenth F site, F(13) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), and one Sc(2) atom. In the fourteenth F site, F(14) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(6), and one Sc(2) atom.