MnF2 crystallizes in the tetragonal P-42m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the second F site, F(2) 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.
MnF2 crystallizes in the tetragonal P-42m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. All Mn(1)-F(1) bond lengths are 2.09 Å. All Mn(1)-F(2) bond lengths are 2.54 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. All Mn(2)-F(1) bond lengths are 2.42 Å. All Mn(2)-F(2) bond lengths are 2.16 Å. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. All Mn(3)-F(1) bond lengths are 2.32 Å. All Mn(3)-F(2) bond lengths are 2.24 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the second F site, F(2) 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.