The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(7), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(5)O5 trigonal bipyramids, edges with two equivalent Mn(2)O5F octahedra, edges with two equivalent Mn(3)O5F octahedra, and  a faceface with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(5), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(7), one O(9), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(4)O5F octahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5F octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(6), one O(7), one O(8), and one F(2) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5F octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-56°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(2)O5F octahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, and  an edgeedge with one Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-86°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(2), one O(3), one O(4), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O5F octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(5) and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), 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(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) 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(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   7.501
_cell_length_c   5.578
_cell_angle_alpha   94.507
_cell_angle_beta   98.375
_cell_angle_gamma   85.063
_symmetry_Int_Tables_number   1
_cell_volume   210.865
_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  0.024  0.488  0.046  1.0
  Mn  Mn1  1  0.467  0.997  0.515  1.0
  Mn  Mn2  1  0.524  0.686  0.157  1.0
  Mn  Mn3  1  0.507  0.338  0.833  1.0
  Mn  Mn4  1  0.000  0.690  0.657  1.0
  Mn  Mn5  1  0.899  0.274  0.456  1.0
  Mn  Mn6  1  0.011  0.999  0.986  1.0
  O  O7  1  0.840  0.466  0.688  1.0
  O  O8  1  0.859  0.772  0.947  1.0
  O  O9  1  0.826  0.082  0.240  1.0
  O  O10  1  0.732  0.124  0.747  1.0
  O  O11  1  0.690  0.777  0.466  1.0
  O  O12  1  0.694  0.437  0.159  1.0
  O  O13  1  0.306  0.572  0.879  1.0
  O  O14  1  0.290  0.237  0.540  1.0
  O  O15  1  0.318  0.912  0.187  1.0
  O  O16  1  0.173  0.904  0.701  1.0
  F  F17  1  0.169  0.590  0.371  1.0
  F  F18  1  0.185  0.237  0.020  1.0
[/CIF]
.
The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(7), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(5)O5 trigonal bipyramids, edges with two equivalent Mn(2)O5F octahedra, edges with two equivalent Mn(3)O5F octahedra, and  a faceface with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(5), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(7), one O(9), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(4)O5F octahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O5F octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(6), one O(7), one O(8), and one F(2) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O5F octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-56°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(2)O5F octahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, and  an edgeedge with one Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-86°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(2), one O(3), one O(4), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O5F octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(5) and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(5), 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(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) 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(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   7.501
_cell_length_c   5.578
_cell_angle_alpha   94.507
_cell_angle_beta   98.375
_cell_angle_gamma   85.063
_symmetry_Int_Tables_number   1
_cell_volume   210.865
_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  0.024  0.488  0.046  1.0
  Mn  Mn1  1  0.467  0.997  0.515  1.0
  Mn  Mn2  1  0.524  0.686  0.157  1.0
  Mn  Mn3  1  0.507  0.338  0.833  1.0
  Mn  Mn4  1  0.000  0.690  0.657  1.0
  Mn  Mn5  1  0.899  0.274  0.456  1.0
  Mn  Mn6  1  0.011  0.999  0.986  1.0
  O  O7  1  0.840  0.466  0.688  1.0
  O  O8  1  0.859  0.772  0.947  1.0
  O  O9  1  0.826  0.082  0.240  1.0
  O  O10  1  0.732  0.124  0.747  1.0
  O  O11  1  0.690  0.777  0.466  1.0
  O  O12  1  0.694  0.437  0.159  1.0
  O  O13  1  0.306  0.572  0.879  1.0
  O  O14  1  0.290  0.237  0.540  1.0
  O  O15  1  0.318  0.912  0.187  1.0
  O  O16  1  0.173  0.904  0.701  1.0
  F  F17  1  0.169  0.590  0.371  1.0
  F  F18  1  0.185  0.237  0.020  1.0
[/CIF]
.