Mn3OF8 crystallizes in the triclinic P-1 space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(1), one F(12), one F(15), one F(4), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(5)F6 octahedra and corners with three equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. In the second Mn site, Mn(2) is bonded to one O(1), one F(10), one F(14), one F(3), one F(6), and one F(8) atom to form MnOF5 octahedra that share corners with three equivalent Mn(7)F6 octahedra and corners with three equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. In the third Mn site, Mn(3) is bonded to one O(2), one F(1), one F(13), one F(2), one F(7), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(6)F6 octahedra and corners with three equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(10), one F(11), one F(16), one F(5), and one F(6) atom to form MnOF5 octahedra that share corners with three equivalent Mn(5)F6 octahedra and corners with three equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the fifth Mn site, Mn(5) is bonded to one F(11), one F(12), one F(15), one F(16), one F(4), and one F(5) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. In the sixth Mn site, Mn(6) is bonded to two equivalent F(13), two equivalent F(2), and two equivalent F(7) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. In the seventh Mn site, Mn(7) is bonded to two equivalent F(14), two equivalent F(3), and two equivalent F(8) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(6) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(7) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(5) 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 in a bent 150 degrees geometry to one Mn(3) and one Mn(6) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(7) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(5) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(5) atom.
Mn3OF8 crystallizes in the triclinic P-1 space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(1), one F(12), one F(15), one F(4), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(5)F6 octahedra and corners with three equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. The Mn(1)-O(2) bond length is 1.80 Å. The Mn(1)-F(1) bond length is 1.92 Å. The Mn(1)-F(12) bond length is 1.93 Å. The Mn(1)-F(15) bond length is 1.92 Å. The Mn(1)-F(4) bond length is 1.98 Å. The Mn(1)-F(9) bond length is 1.98 Å. In the second Mn site, Mn(2) is bonded to one O(1), one F(10), one F(14), one F(3), one F(6), and one F(8) atom to form MnOF5 octahedra that share corners with three equivalent Mn(7)F6 octahedra and corners with three equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. The Mn(2)-O(1) bond length is 1.79 Å. The Mn(2)-F(10) bond length is 1.97 Å. The Mn(2)-F(14) bond length is 2.01 Å. The Mn(2)-F(3) bond length is 1.92 Å. The Mn(2)-F(6) bond length is 1.88 Å. The Mn(2)-F(8) bond length is 1.94 Å. In the third Mn site, Mn(3) is bonded to one O(2), one F(1), one F(13), one F(2), one F(7), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(6)F6 octahedra and corners with three equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. The Mn(3)-O(2) bond length is 1.79 Å. The Mn(3)-F(1) bond length is 1.95 Å. The Mn(3)-F(13) bond length is 1.90 Å. The Mn(3)-F(2) bond length is 1.93 Å. The Mn(3)-F(7) bond length is 2.01 Å. The Mn(3)-F(9) bond length is 1.93 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(10), one F(11), one F(16), one F(5), and one F(6) atom to form MnOF5 octahedra that share corners with three equivalent Mn(5)F6 octahedra and corners with three equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. The Mn(4)-O(1) bond length is 1.81 Å. The Mn(4)-F(10) bond length is 1.92 Å. The Mn(4)-F(11) bond length is 1.93 Å. The Mn(4)-F(16) bond length is 1.97 Å. The Mn(4)-F(5) bond length is 1.94 Å. The Mn(4)-F(6) bond length is 1.96 Å. In the fifth Mn site, Mn(5) is bonded to one F(11), one F(12), one F(15), one F(16), one F(4), and one F(5) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. The Mn(5)-F(11) bond length is 1.97 Å. The Mn(5)-F(12) bond length is 1.95 Å. The Mn(5)-F(15) bond length is 1.95 Å. The Mn(5)-F(16) bond length is 1.94 Å. The Mn(5)-F(4) bond length is 1.94 Å. The Mn(5)-F(5) bond length is 1.92 Å. In the sixth Mn site, Mn(6) is bonded to two equivalent F(13), two equivalent F(2), and two equivalent F(7) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. Both Mn(6)-F(13) bond lengths are 1.93 Å. Both Mn(6)-F(2) bond lengths are 1.97 Å. Both Mn(6)-F(7) bond lengths are 1.92 Å. In the seventh Mn site, Mn(7) is bonded to two equivalent F(14), two equivalent F(3), and two equivalent F(8) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. Both Mn(7)-F(14) bond lengths are 1.91 Å. Both Mn(7)-F(3) bond lengths are 1.97 Å. Both Mn(7)-F(8) bond lengths are 1.91 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(6) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(7) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(5) 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 in a bent 150 degrees geometry to one Mn(3) and one Mn(6) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(7) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(5) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(5) atom.