Ba3MnF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1) and four equivalent F(2) atoms. Mn(1) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Mn(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(3), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing FBa3Mn tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Mn(1) atom.
Ba3MnF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(3) atoms. Both Ba(1)-F(2) bond lengths are 2.75 Å. There are two shorter (2.63 Å) and two longer (3.21 Å) Ba(1)-F(3) bond lengths. In the second Ba site, Ba(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(3) atoms. Both Ba(2)-F(1) bond lengths are 2.59 Å. Both Ba(2)-F(3) bond lengths are 2.77 Å. In the third Ba site, Ba(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1) and four equivalent F(2) atoms. Both Ba(3)-F(1) bond lengths are 2.69 Å. There are two shorter (2.67 Å) and two longer (2.99 Å) Ba(3)-F(2) bond lengths. Mn(1) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Mn(1)-F(1) bond lengths are 2.11 Å. Both Mn(1)-F(2) bond lengths are 2.32 Å. Both Mn(1)-F(3) bond lengths are 2.22 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Mn(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(3), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing FBa3Mn tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Mn(1) atom.