The crystal structure described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(5), one O(8), and one F(4) atom to form distorted MgO3F tetrahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Mn(3)O3F2 square pyramid,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 22-59°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(8), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O3F2 square pyramid, corners with three equivalent Mn(4)O4F square pyramids, corners with two equivalent Mg(1)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mg(1)O3F tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(6)O4F square pyramids,  a cornercorner with one Mg(1)O3F tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F2 square pyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(7), one F(3), and one F(4) atom to form distorted MnO3F2 square pyramids that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(6)O4F square pyramids,  a cornercorner with one Mg(1)O3F tetrahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 83°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), and one F(2) atom to form distorted MnO4F square pyramids that share corners with three equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F2 square pyramids,  an edgeedge with one Mn(6)O4F square pyramid, and  an edgeedge with one Mg(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one F(1) atom. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(3) atom to form MnO4F square pyramids that share corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O3F2 square pyramids, and  an edgeedge with one Mn(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 40-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and face-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and face-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(3) atom. is represented by the CIF card [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.342
_cell_length_c   9.071
_cell_angle_alpha   90.339
_cell_angle_beta   89.657
_cell_angle_gamma   107.087
_symmetry_Int_Tables_number   1
_cell_volume   247.394
_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  0.714  0.284  0.008  1.0
  Mn  Mn1  1  0.045  0.954  0.006  1.0
  Mn  Mn2  1  0.984  0.016  0.334  1.0
  Mn  Mn3  1  0.973  0.026  0.651  1.0
  Mn  Mn4  1  0.457  0.543  0.823  1.0
  Mn  Mn5  1  0.452  0.547  0.178  1.0
  Mn  Mn6  1  0.526  0.473  0.500  1.0
  O  O7  1  0.111  0.889  0.499  1.0
  O  O8  1  0.337  0.285  0.997  1.0
  O  O9  1  0.305  0.310  0.333  1.0
  O  O10  1  0.293  0.318  0.665  1.0
  O  O11  1  0.715  0.662  0.996  1.0
  O  O12  1  0.691  0.694  0.333  1.0
  O  O13  1  0.682  0.706  0.665  1.0
  O  O14  1  0.880  0.118  0.145  1.0
  F  F15  1  0.215  0.786  0.167  1.0
  F  F16  1  0.207  0.793  0.853  1.0
  F  F17  1  0.784  0.214  0.497  1.0
  F  F18  1  0.839  0.160  0.834  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(2), one O(5), one O(8), and one F(4) atom to form distorted MgO3F tetrahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Mn(3)O3F2 square pyramid,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 22-59°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(8), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O3F2 square pyramid, corners with three equivalent Mn(4)O4F square pyramids, corners with two equivalent Mg(1)O3F tetrahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mg(1)O3F tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one O(8), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(6)O4F square pyramids,  a cornercorner with one Mg(1)O3F tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F2 square pyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(7), one F(3), and one F(4) atom to form distorted MnO3F2 square pyramids that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(6)O4F square pyramids,  a cornercorner with one Mg(1)O3F tetrahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 83°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), and one F(2) atom to form distorted MnO4F square pyramids that share corners with three equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F2 square pyramids,  an edgeedge with one Mn(6)O4F square pyramid, and  an edgeedge with one Mg(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one F(1) atom. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(6), one O(7), and one F(3) atom to form MnO4F square pyramids that share corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O3F2 square pyramids, and  an edgeedge with one Mn(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 40-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and face-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and face-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(3) atom. is represented by the CIF card [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.342
_cell_length_c   9.071
_cell_angle_alpha   90.339
_cell_angle_beta   89.657
_cell_angle_gamma   107.087
_symmetry_Int_Tables_number   1
_cell_volume   247.394
_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  0.714  0.284  0.008  1.0
  Mn  Mn1  1  0.045  0.954  0.006  1.0
  Mn  Mn2  1  0.984  0.016  0.334  1.0
  Mn  Mn3  1  0.973  0.026  0.651  1.0
  Mn  Mn4  1  0.457  0.543  0.823  1.0
  Mn  Mn5  1  0.452  0.547  0.178  1.0
  Mn  Mn6  1  0.526  0.473  0.500  1.0
  O  O7  1  0.111  0.889  0.499  1.0
  O  O8  1  0.337  0.285  0.997  1.0
  O  O9  1  0.305  0.310  0.333  1.0
  O  O10  1  0.293  0.318  0.665  1.0
  O  O11  1  0.715  0.662  0.996  1.0
  O  O12  1  0.691  0.694  0.333  1.0
  O  O13  1  0.682  0.706  0.665  1.0
  O  O14  1  0.880  0.118  0.145  1.0
  F  F15  1  0.215  0.786  0.167  1.0
  F  F16  1  0.207  0.793  0.853  1.0
  F  F17  1  0.784  0.214  0.497  1.0
  F  F18  1  0.839  0.160  0.834  1.0
[/CIF]
.