The crystal structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(9), two equivalent O(4), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(1), two equivalent O(10), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Mn site, Mn(3) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(5)O6 octahedra and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(9), two equivalent O(4), and two equivalent F(1) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O4F2 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(2), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(5), two equivalent O(8), and one F(2) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(6), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(4) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(9)MgMn3 trigonal pyramids, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(9)MgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(1), and two equivalent Mn(6) atoms. In the ninth O site, O(9) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(1) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(4)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(9)MgMn3 trigonal pyramids, and edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(4) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.961
_cell_length_b   14.123
_cell_length_c   2.976
_cell_angle_alpha   91.202
_cell_angle_beta   90.670
_cell_angle_gamma   89.437
_symmetry_Int_Tables_number   1
_cell_volume   208.469
_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  0.439  0.998  0.561  1.0
  Mn  Mn1  1  0.943  0.008  0.050  1.0
  Mn  Mn2  1  0.058  0.353  0.981  1.0
  Mn  Mn3  1  0.045  0.645  0.008  1.0
  Mn  Mn4  1  0.483  0.184  0.490  1.0
  Mn  Mn5  1  0.556  0.499  0.493  1.0
  Mn  Mn6  1  0.467  0.810  0.531  1.0
  O  O7  1  0.189  0.275  0.476  1.0
  O  O8  1  0.221  0.584  0.501  1.0
  O  O9  1  0.091  0.937  0.546  1.0
  O  O10  1  0.309  0.094  0.072  1.0
  O  O11  1  0.317  0.744  0.021  1.0
  O  O12  1  0.385  0.434  0.986  1.0
  O  O13  1  0.717  0.569  0.001  1.0
  O  O14  1  0.581  0.902  0.043  1.0
  O  O15  1  0.767  0.077  0.546  1.0
  O  O16  1  0.869  0.412  0.485  1.0
  F  F17  1  0.686  0.251  0.959  1.0
  F  F18  1  0.850  0.724  0.520  1.0
[/CIF]
.
The crystal structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(9), two equivalent O(4), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(1), two equivalent O(10), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Mn site, Mn(3) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(5)O6 octahedra and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(9), two equivalent O(4), and two equivalent F(1) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(2)O5F octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O4F2 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(2), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(5), two equivalent O(8), and one F(2) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(6), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(4) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(9)MgMn3 trigonal pyramids, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(9)MgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(1), and two equivalent Mn(6) atoms. In the ninth O site, O(9) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(1) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(4)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(9)MgMn3 trigonal pyramids, and edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(4) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.961
_cell_length_b   14.123
_cell_length_c   2.976
_cell_angle_alpha   91.202
_cell_angle_beta   90.670
_cell_angle_gamma   89.437
_symmetry_Int_Tables_number   1
_cell_volume   208.469
_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  0.439  0.998  0.561  1.0
  Mn  Mn1  1  0.943  0.008  0.050  1.0
  Mn  Mn2  1  0.058  0.353  0.981  1.0
  Mn  Mn3  1  0.045  0.645  0.008  1.0
  Mn  Mn4  1  0.483  0.184  0.490  1.0
  Mn  Mn5  1  0.556  0.499  0.493  1.0
  Mn  Mn6  1  0.467  0.810  0.531  1.0
  O  O7  1  0.189  0.275  0.476  1.0
  O  O8  1  0.221  0.584  0.501  1.0
  O  O9  1  0.091  0.937  0.546  1.0
  O  O10  1  0.309  0.094  0.072  1.0
  O  O11  1  0.317  0.744  0.021  1.0
  O  O12  1  0.385  0.434  0.986  1.0
  O  O13  1  0.717  0.569  0.001  1.0
  O  O14  1  0.581  0.902  0.043  1.0
  O  O15  1  0.767  0.077  0.546  1.0
  O  O16  1  0.869  0.412  0.485  1.0
  F  F17  1  0.686  0.251  0.959  1.0
  F  F18  1  0.850  0.724  0.520  1.0
[/CIF]
.