Mn7F16 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(7), one F(8), and two equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, edges with three equivalent Mn(2)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second Mn site, Mn(2) is bonded to one F(1), one F(3), one F(6), one F(7), one F(8), and two equivalent F(4) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the third Mn site, Mn(3) is bonded to one F(1), one F(3), one F(4), one F(5), one F(8), and two equivalent F(7) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  an edgeedge with one Mn(3)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the fourth Mn site, Mn(4) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing MnF6 octahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fourth F site, F(4) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the seventh F site, F(7) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.
Mn7F16 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(7), one F(8), and two equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, edges with three equivalent Mn(2)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. The Mn(1)-F(1) bond length is 2.08 Å. The Mn(1)-F(2) bond length is 2.07 Å. The Mn(1)-F(4) bond length is 2.13 Å. The Mn(1)-F(7) bond length is 2.40 Å. The Mn(1)-F(8) bond length is 2.12 Å. There is one shorter (2.18 Å) and one longer (2.29 Å) Mn(1)-F(3) bond length. In the second Mn site, Mn(2) is bonded to one F(1), one F(3), one F(6), one F(7), one F(8), and two equivalent F(4) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. The Mn(2)-F(1) bond length is 2.08 Å. The Mn(2)-F(3) bond length is 2.41 Å. The Mn(2)-F(6) bond length is 2.07 Å. The Mn(2)-F(7) bond length is 2.13 Å. The Mn(2)-F(8) bond length is 2.12 Å. There is one shorter (2.18 Å) and one longer (2.30 Å) Mn(2)-F(4) bond length. In the third Mn site, Mn(3) is bonded to one F(1), one F(3), one F(4), one F(5), one F(8), and two equivalent F(7) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  an edgeedge with one Mn(3)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. The Mn(3)-F(1) bond length is 2.08 Å. The Mn(3)-F(3) bond length is 2.13 Å. The Mn(3)-F(4) bond length is 2.40 Å. The Mn(3)-F(5) bond length is 2.07 Å. The Mn(3)-F(8) bond length is 2.12 Å. There is one shorter (2.18 Å) and one longer (2.30 Å) Mn(3)-F(7) bond length. In the fourth Mn site, Mn(4) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing MnF6 octahedra. Both Mn(4)-F(2) bond lengths are 1.82 Å. Both Mn(4)-F(5) bond lengths are 1.82 Å. Both Mn(4)-F(6) bond lengths are 1.82 Å. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fourth F site, F(4) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the seventh F site, F(7) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.