The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(2) atom to form MgO5F octahedra that share  a cornercorner with one Mn(2)O4F square pyramid,  a cornercorner with one Mn(3)O4F square pyramid, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, edges with two equivalent Mn(5)O3F3 octahedra,  an edgeedge with one Mn(2)O4F square pyramid, and  an edgeedge with one Mn(3)O4F square pyramid. 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 Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(4)O3F3 octahedra, and  an edgeedge with one Mn(5)O3F3 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one F(1) atom to form MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 45-59°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(3) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-61°. 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 MnO3F3 octahedra that share corners with two equivalent Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(1)O4F2 octahedra. 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 MnO3F3 octahedra that share corners with two equivalent Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(4) atom to form distorted MnO4F square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F square pyramid, and  an edgeedge with one Mn(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. 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 to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. 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 a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped 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 Mg(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to 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 Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.034
_cell_length_b   5.917
_cell_length_c   5.879
_cell_angle_alpha   84.410
_cell_angle_beta   74.808
_cell_angle_gamma   73.005
_symmetry_Int_Tables_number   1
_cell_volume   225.788
_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  0.497  0.509  0.001  1.0
  Mn  Mn1  1  0.836  0.674  0.666  1.0
  Mn  Mn2  1  0.667  0.302  0.379  1.0
  Mn  Mn3  1  0.327  0.714  0.617  1.0
  Mn  Mn4  1  0.146  0.331  0.361  1.0
  Mn  Mn5  1  0.503  0.999  0.996  1.0
  Mn  Mn6  1  0.996  0.012  0.995  1.0
  O  O7  1  0.302  0.848  0.926  1.0
  O  O8  1  0.611  0.531  0.629  1.0
  O  O9  1  0.961  0.179  0.279  1.0
  O  O10  1  0.688  0.166  0.072  1.0
  O  O11  1  0.034  0.817  0.731  1.0
  O  O12  1  0.379  0.477  0.373  1.0
  O  O13  1  0.686  0.703  0.997  1.0
  O  O14  1  0.976  0.631  0.350  1.0
  F  F15  1  0.629  0.024  0.624  1.0
  F  F16  1  0.315  0.320  0.977  1.0
  F  F17  1  0.344  0.009  0.368  1.0
  F  F18  1  0.020  0.310  0.731  1.0
[/CIF]
.
The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(2) atom to form MgO5F octahedra that share  a cornercorner with one Mn(2)O4F square pyramid,  a cornercorner with one Mn(3)O4F square pyramid, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, edges with two equivalent Mn(5)O3F3 octahedra,  an edgeedge with one Mn(2)O4F square pyramid, and  an edgeedge with one Mn(3)O4F square pyramid. 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 Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(4)O3F3 octahedra, and  an edgeedge with one Mn(5)O3F3 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one F(1) atom to form MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 45-59°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(3) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O4F square pyramid, and  an edgeedge with one Mn(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-61°. 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 MnO3F3 octahedra that share corners with two equivalent Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(1)O4F2 octahedra. 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 MnO3F3 octahedra that share corners with two equivalent Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(6)O4F square pyramids,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(4) atom to form distorted MnO4F square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F square pyramid, and  an edgeedge with one Mn(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. 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 to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. 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 a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped 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 Mg(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to 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 Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.034
_cell_length_b   5.917
_cell_length_c   5.879
_cell_angle_alpha   84.410
_cell_angle_beta   74.808
_cell_angle_gamma   73.005
_symmetry_Int_Tables_number   1
_cell_volume   225.788
_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  0.497  0.509  0.001  1.0
  Mn  Mn1  1  0.836  0.674  0.666  1.0
  Mn  Mn2  1  0.667  0.302  0.379  1.0
  Mn  Mn3  1  0.327  0.714  0.617  1.0
  Mn  Mn4  1  0.146  0.331  0.361  1.0
  Mn  Mn5  1  0.503  0.999  0.996  1.0
  Mn  Mn6  1  0.996  0.012  0.995  1.0
  O  O7  1  0.302  0.848  0.926  1.0
  O  O8  1  0.611  0.531  0.629  1.0
  O  O9  1  0.961  0.179  0.279  1.0
  O  O10  1  0.688  0.166  0.072  1.0
  O  O11  1  0.034  0.817  0.731  1.0
  O  O12  1  0.379  0.477  0.373  1.0
  O  O13  1  0.686  0.703  0.997  1.0
  O  O14  1  0.976  0.631  0.350  1.0
  F  F15  1  0.629  0.024  0.624  1.0
  F  F16  1  0.315  0.320  0.977  1.0
  F  F17  1  0.344  0.009  0.368  1.0
  F  F18  1  0.020  0.310  0.731  1.0
[/CIF]
.