The material structure described by MgMn6(O2F)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra and edges with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent F(1) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and corners with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent F(1)MgMn3 trigonal pyramids, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one F(1)MgMn3 trigonal pyramid, corners with three equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(1)MgMn3 trigonal pyramid, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. 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(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   7.557
_cell_length_c   5.788
_cell_angle_alpha   97.031
_cell_angle_beta   83.543
_cell_angle_gamma   93.124
_symmetry_Int_Tables_number   1
_cell_volume   227.723
_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  1.000  0.496  0.996  1.0
  Mn  Mn1  1  0.500  0.996  0.496  1.0
  Mn  Mn2  1  0.513  0.666  0.137  1.0
  Mn  Mn3  1  0.487  0.326  0.854  1.0
  Mn  Mn4  1  0.933  0.725  0.600  1.0
  Mn  Mn5  1  0.067  0.268  0.391  1.0
  Mn  Mn6  1  1.000  0.996  0.996  1.0
  O  O7  1  0.841  0.751  0.941  1.0
  O  O8  1  0.827  0.073  0.310  1.0
  O  O9  1  0.634  0.759  0.432  1.0
  O  O10  1  0.646  0.437  0.123  1.0
  O  O11  1  0.354  0.555  0.868  1.0
  O  O12  1  0.366  0.233  0.559  1.0
  O  O13  1  0.159  0.241  0.050  1.0
  O  O14  1  0.173  0.919  0.681  1.0
  F  F15  1  0.880  0.424  0.672  1.0
  F  F16  1  0.676  0.101  0.821  1.0
  F  F17  1  0.324  0.892  0.170  1.0
  F  F18  1  0.120  0.568  0.319  1.0
[/CIF]
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The material structure described by MgMn6(O2F)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra and edges with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent F(1) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and corners with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent F(1)MgMn3 trigonal pyramids, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one F(1)MgMn3 trigonal pyramid, corners with three equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(1)MgMn3 trigonal pyramid, and  an edgeedge with one F(1)MgMn3 trigonal pyramid. 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(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   7.557
_cell_length_c   5.788
_cell_angle_alpha   97.031
_cell_angle_beta   83.543
_cell_angle_gamma   93.124
_symmetry_Int_Tables_number   1
_cell_volume   227.723
_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  1.000  0.496  0.996  1.0
  Mn  Mn1  1  0.500  0.996  0.496  1.0
  Mn  Mn2  1  0.513  0.666  0.137  1.0
  Mn  Mn3  1  0.487  0.326  0.854  1.0
  Mn  Mn4  1  0.933  0.725  0.600  1.0
  Mn  Mn5  1  0.067  0.268  0.391  1.0
  Mn  Mn6  1  1.000  0.996  0.996  1.0
  O  O7  1  0.841  0.751  0.941  1.0
  O  O8  1  0.827  0.073  0.310  1.0
  O  O9  1  0.634  0.759  0.432  1.0
  O  O10  1  0.646  0.437  0.123  1.0
  O  O11  1  0.354  0.555  0.868  1.0
  O  O12  1  0.366  0.233  0.559  1.0
  O  O13  1  0.159  0.241  0.050  1.0
  O  O14  1  0.173  0.919  0.681  1.0
  F  F15  1  0.880  0.424  0.672  1.0
  F  F16  1  0.676  0.101  0.821  1.0
  F  F17  1  0.324  0.892  0.170  1.0
  F  F18  1  0.120  0.568  0.319  1.0
[/CIF]
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