The material structure described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one F(4) atom to form MgO5F octahedra that share corners with two equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O4F square pyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-48°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(7), one O(8), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(3)O3F3 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O4F square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O4F square pyramid, corners with three equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 44-59°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-61°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(7), one O(8), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(1)O4F square pyramids, corners with two equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   5.813
_cell_length_c   5.922
_cell_angle_alpha   65.657
_cell_angle_beta   62.884
_cell_angle_gamma   64.360
_symmetry_Int_Tables_number   1
_cell_volume   221.735
_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  0.001  0.017  0.488  1.0
  Mn  Mn1  1  0.811  0.640  0.659  1.0
  Mn  Mn2  1  0.656  0.326  0.319  1.0
  Mn  Mn3  1  0.353  0.652  0.667  1.0
  Mn  Mn4  1  0.218  0.356  0.355  1.0
  Mn  Mn5  1  0.505  0.996  1.000  1.0
  Mn  Mn6  1  0.997  0.000  0.006  1.0
  O  O7  1  0.705  0.021  0.640  1.0
  O  O8  1  0.365  0.368  0.986  1.0
  O  O9  1  0.928  0.252  0.174  1.0
  O  O10  1  0.387  0.420  0.485  1.0
  O  O11  1  0.301  0.972  0.361  1.0
  O  O12  1  0.629  0.624  0.009  1.0
  O  O13  1  0.988  0.273  0.664  1.0
  O  O14  1  0.030  0.721  0.338  1.0
  F  F15  1  0.301  0.906  0.849  1.0
  F  F16  1  0.647  0.583  0.513  1.0
  F  F17  1  0.698  0.050  0.131  1.0
  F  F18  1  0.039  0.750  0.819  1.0
[/CIF]
.
The material structure described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one F(4) atom to form MgO5F octahedra that share corners with two equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O4F square pyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-48°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(7), one O(8), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(3)O3F3 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O4F square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O4F square pyramid, corners with three equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 44-59°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-61°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(7), one O(8), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(1)O4F square pyramids, corners with two equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   5.813
_cell_length_c   5.922
_cell_angle_alpha   65.657
_cell_angle_beta   62.884
_cell_angle_gamma   64.360
_symmetry_Int_Tables_number   1
_cell_volume   221.735
_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  0.001  0.017  0.488  1.0
  Mn  Mn1  1  0.811  0.640  0.659  1.0
  Mn  Mn2  1  0.656  0.326  0.319  1.0
  Mn  Mn3  1  0.353  0.652  0.667  1.0
  Mn  Mn4  1  0.218  0.356  0.355  1.0
  Mn  Mn5  1  0.505  0.996  1.000  1.0
  Mn  Mn6  1  0.997  0.000  0.006  1.0
  O  O7  1  0.705  0.021  0.640  1.0
  O  O8  1  0.365  0.368  0.986  1.0
  O  O9  1  0.928  0.252  0.174  1.0
  O  O10  1  0.387  0.420  0.485  1.0
  O  O11  1  0.301  0.972  0.361  1.0
  O  O12  1  0.629  0.624  0.009  1.0
  O  O13  1  0.988  0.273  0.664  1.0
  O  O14  1  0.030  0.721  0.338  1.0
  F  F15  1  0.301  0.906  0.849  1.0
  F  F16  1  0.647  0.583  0.513  1.0
  F  F17  1  0.698  0.050  0.131  1.0
  F  F18  1  0.039  0.750  0.819  1.0
[/CIF]
.