The crystal structure described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(6), one F(1), one F(2), one F(3), and one F(4) atom to form MgO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Mn(4)O3F3 pentagonal pyramid,  a cornercorner with one Mn(5)O3F3 pentagonal pyramid, edges with two equivalent Mn(3)O4F2 octahedra,  a faceface with one Mn(4)O3F3 pentagonal pyramid, and  a faceface with one Mn(5)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles are 45°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O3F3 pentagonal pyramid, and  an edgeedge with one Mn(5)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 45-52°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O3F3 pentagonal pyramids, corners with three equivalent Mn(5)O3F3 pentagonal pyramids, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(6), one O(8), one F(2), one F(3), and one F(4) atom to form distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-66°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one F(1), one F(2), and one F(3) atom to form distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-66°. In the sixth Mn site, Mn(6) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form corner-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.066
_cell_length_b   5.961
_cell_length_c   5.759
_cell_angle_alpha   82.612
_cell_angle_beta   74.666
_cell_angle_gamma   73.366
_symmetry_Int_Tables_number   1
_cell_volume   223.774
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.336  0.163  0.663  1.0
  Mn  Mn1  1  0.836  0.664  0.665  1.0
  Mn  Mn2  1  0.673  0.371  0.284  1.0
  Mn  Mn3  1  0.336  0.663  0.665  1.0
  Mn  Mn4  1  0.150  0.382  0.289  1.0
  Mn  Mn5  1  0.522  0.947  0.039  1.0
  Mn  Mn6  1  0.998  0.958  0.045  1.0
  O  O7  1  0.302  0.891  0.906  1.0
  O  O8  1  0.628  0.574  0.547  1.0
  O  O9  1  0.962  0.238  0.226  1.0
  O  O10  1  0.710  0.091  0.102  1.0
  O  O11  1  0.043  0.754  0.782  1.0
  O  O12  1  0.369  0.437  0.422  1.0
  O  O13  1  0.681  0.642  0.998  1.0
  O  O14  1  0.990  0.687  0.330  1.0
  F  F15  1  0.631  0.030  0.642  1.0
  F  F16  1  0.350  0.316  0.949  1.0
  F  F17  1  0.321  0.013  0.377  1.0
  F  F18  1  0.041  0.298  0.686  1.0
[/CIF]
.
The crystal structure described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(6), one F(1), one F(2), one F(3), and one F(4) atom to form MgO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Mn(4)O3F3 pentagonal pyramid,  a cornercorner with one Mn(5)O3F3 pentagonal pyramid, edges with two equivalent Mn(3)O4F2 octahedra,  a faceface with one Mn(4)O3F3 pentagonal pyramid, and  a faceface with one Mn(5)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles are 45°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O3F3 pentagonal pyramid, and  an edgeedge with one Mn(5)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 45-52°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O3F3 pentagonal pyramids, corners with three equivalent Mn(5)O3F3 pentagonal pyramids, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(6), one O(8), one F(2), one F(3), and one F(4) atom to form distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-66°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one F(1), one F(2), and one F(3) atom to form distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with three equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-66°. In the sixth Mn site, Mn(6) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form corner-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.066
_cell_length_b   5.961
_cell_length_c   5.759
_cell_angle_alpha   82.612
_cell_angle_beta   74.666
_cell_angle_gamma   73.366
_symmetry_Int_Tables_number   1
_cell_volume   223.774
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.336  0.163  0.663  1.0
  Mn  Mn1  1  0.836  0.664  0.665  1.0
  Mn  Mn2  1  0.673  0.371  0.284  1.0
  Mn  Mn3  1  0.336  0.663  0.665  1.0
  Mn  Mn4  1  0.150  0.382  0.289  1.0
  Mn  Mn5  1  0.522  0.947  0.039  1.0
  Mn  Mn6  1  0.998  0.958  0.045  1.0
  O  O7  1  0.302  0.891  0.906  1.0
  O  O8  1  0.628  0.574  0.547  1.0
  O  O9  1  0.962  0.238  0.226  1.0
  O  O10  1  0.710  0.091  0.102  1.0
  O  O11  1  0.043  0.754  0.782  1.0
  O  O12  1  0.369  0.437  0.422  1.0
  O  O13  1  0.681  0.642  0.998  1.0
  O  O14  1  0.990  0.687  0.330  1.0
  F  F15  1  0.631  0.030  0.642  1.0
  F  F16  1  0.350  0.316  0.949  1.0
  F  F17  1  0.321  0.013  0.377  1.0
  F  F18  1  0.041  0.298  0.686  1.0
[/CIF]
.