The crystal structure described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(8), and one F(3) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(7), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(3)O3F2 square pyramid, and  an edgeedge with one Mn(2)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(6), one O(7), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing MnO3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-56°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(8), one F(3), and one F(4) atom to form distorted edge-sharing MnO3F2 square pyramids. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one F(4) atom. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(1)O4F2 octahedra and corners with four equivalent Mn(2)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-54°. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(8), and one F(2) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(2), and two equivalent Mn(6) atoms. In the second O site, O(2) is bonded in a 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(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), 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(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 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 5-coordinate geometry to two equivalent Mg(1), one Mn(3), and two equivalent Mn(6) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Mg(1) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), 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   4.752
_cell_length_b   4.352
_cell_length_c   10.668
_cell_angle_alpha   88.024
_cell_angle_beta   98.270
_cell_angle_gamma   89.424
_symmetry_Int_Tables_number   1
_cell_volume   218.199
_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  0.790  0.711  0.488  1.0
  Mn  Mn1  1  0.005  0.021  0.004  1.0
  Mn  Mn2  1  0.065  0.951  0.295  1.0
  Mn  Mn3  1  0.959  0.092  0.704  1.0
  Mn  Mn4  1  0.431  0.549  0.858  1.0
  Mn  Mn5  1  0.577  0.482  0.146  1.0
  Mn  Mn6  1  0.337  0.291  0.519  1.0
  O  O7  1  0.225  0.801  0.466  1.0
  O  O8  1  0.144  0.859  0.853  1.0
  O  O9  1  0.318  0.310  0.012  1.0
  O  O10  1  0.252  0.375  0.700  1.0
  O  O11  1  0.692  0.707  0.002  1.0
  O  O12  1  0.771  0.674  0.298  1.0
  O  O13  1  0.863  0.185  0.151  1.0
  O  O14  1  0.793  0.233  0.532  1.0
  F  F15  1  0.266  0.767  0.156  1.0
  F  F16  1  0.364  0.266  0.309  1.0
  F  F17  1  0.699  0.752  0.667  1.0
  F  F18  1  0.740  0.253  0.846  1.0
[/CIF]
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The crystal structure described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(8), and one F(3) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(7), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(3)O3F2 square pyramid, and  an edgeedge with one Mn(2)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(6), one O(7), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing MnO3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-56°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(8), one F(3), and one F(4) atom to form distorted edge-sharing MnO3F2 square pyramids. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one F(4) atom. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(1)O4F2 octahedra and corners with four equivalent Mn(2)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-54°. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(8), and one F(2) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(2), and two equivalent Mn(6) atoms. In the second O site, O(2) is bonded in a 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(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), 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(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 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 5-coordinate geometry to two equivalent Mg(1), one Mn(3), and two equivalent Mn(6) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Mg(1) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), 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   4.752
_cell_length_b   4.352
_cell_length_c   10.668
_cell_angle_alpha   88.024
_cell_angle_beta   98.270
_cell_angle_gamma   89.424
_symmetry_Int_Tables_number   1
_cell_volume   218.199
_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  0.790  0.711  0.488  1.0
  Mn  Mn1  1  0.005  0.021  0.004  1.0
  Mn  Mn2  1  0.065  0.951  0.295  1.0
  Mn  Mn3  1  0.959  0.092  0.704  1.0
  Mn  Mn4  1  0.431  0.549  0.858  1.0
  Mn  Mn5  1  0.577  0.482  0.146  1.0
  Mn  Mn6  1  0.337  0.291  0.519  1.0
  O  O7  1  0.225  0.801  0.466  1.0
  O  O8  1  0.144  0.859  0.853  1.0
  O  O9  1  0.318  0.310  0.012  1.0
  O  O10  1  0.252  0.375  0.700  1.0
  O  O11  1  0.692  0.707  0.002  1.0
  O  O12  1  0.771  0.674  0.298  1.0
  O  O13  1  0.863  0.185  0.151  1.0
  O  O14  1  0.793  0.233  0.532  1.0
  F  F15  1  0.266  0.767  0.156  1.0
  F  F16  1  0.364  0.266  0.309  1.0
  F  F17  1  0.699  0.752  0.667  1.0
  F  F18  1  0.740  0.253  0.846  1.0
[/CIF]
.