Ba7MnFe6F34 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(3), one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent F(2), four equivalent F(7), and four equivalent F(9) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(10) atoms to form MnF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra and  a cornercorner with one Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are ten inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the second F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the third F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the fourth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Fe(1) atom. In the sixth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the seventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Fe(1) atom. In the eighth F site, F(10) is bonded in a 2-coordinate geometry to one Ba(1), one Mn(1), and one Fe(1) atom. In the ninth F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Mn(1) atom. In the tenth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(3) and one Fe(2) atom.
Ba7MnFe6F34 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(3), one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms. The Ba(1)-F(1) bond length is 2.64 Å. The Ba(1)-F(10) bond length is 2.92 Å. The Ba(1)-F(3) bond length is 3.03 Å. The Ba(1)-F(6) bond length is 2.65 Å. The Ba(1)-F(7) bond length is 3.07 Å. The Ba(1)-F(8) bond length is 2.75 Å. The Ba(1)-F(9) bond length is 2.65 Å. There is one shorter (2.72 Å) and one longer (2.81 Å) Ba(1)-F(4) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. The Ba(2)-F(3) bond length is 2.83 Å. Both Ba(2)-F(4) bond lengths are 3.05 Å. Both Ba(2)-F(6) bond lengths are 2.75 Å. Both Ba(2)-F(7) bond lengths are 2.72 Å. Both Ba(2)-F(8) bond lengths are 2.81 Å. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent F(2), four equivalent F(7), and four equivalent F(9) atoms. Both Ba(3)-F(2) bond lengths are 2.72 Å. All Ba(3)-F(7) bond lengths are 2.77 Å. All Ba(3)-F(9) bond lengths are 2.91 Å. Mn(1) is bonded to two equivalent F(1) and four equivalent F(10) atoms to form MnF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. Both Mn(1)-F(1) bond lengths are 2.07 Å. All Mn(1)-F(10) bond lengths are 2.24 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra and  a cornercorner with one Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. The Fe(1)-F(10) bond length is 1.99 Å. The Fe(1)-F(5) bond length is 2.01 Å. The Fe(1)-F(6) bond length is 1.94 Å. The Fe(1)-F(7) bond length is 1.98 Å. The Fe(1)-F(8) bond length is 1.94 Å. The Fe(1)-F(9) bond length is 1.93 Å. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 37°. The Fe(2)-F(2) bond length is 1.93 Å. The Fe(2)-F(3) bond length is 1.97 Å. Both Fe(2)-F(4) bond lengths are 1.96 Å. Both Fe(2)-F(5) bond lengths are 1.97 Å. There are ten inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the second F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the third F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the fourth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Fe(1) atom. In the sixth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the seventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Fe(1) atom. In the eighth F site, F(10) is bonded in a 2-coordinate geometry to one Ba(1), one Mn(1), and one Fe(1) atom. In the ninth F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Mn(1) atom. In the tenth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(3) and one Fe(2) atom.