The material structure described by MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(10), one O(5), two equivalent O(6), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O4F2 octahedra, and  a faceface with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(6)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(10), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 51-69°. In the third Mn site, Mn(3) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(6)O4F square pyramids, edges with two equivalent Mn(4)O6 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(10), one O(3), two equivalent O(7), and two equivalent F(1) atoms. In the sixth Mn site, Mn(6) is bonded to two equivalent O(5), two equivalent O(9), and one F(2) atom to form MnO4F square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O4F square pyramids. The corner-sharing octahedral tilt angles range from 46-69°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form corner-sharing OMgMn3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(4) 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 trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms to form corner-sharing OMgMn3 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(5) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.982
_cell_length_b   6.407
_cell_length_c   2.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.545
_symmetry_Int_Tables_number   1
_cell_volume   216.585
_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  0.504  0.994  0.000  1.0
  Mn  Mn1  1  0.015  0.997  0.000  1.0
  Mn  Mn2  1  0.301  0.168  0.500  1.0
  Mn  Mn3  1  0.995  0.487  0.500  1.0
  Mn  Mn4  1  0.707  0.317  0.000  1.0
  Mn  Mn5  1  0.273  0.642  0.000  1.0
  Mn  Mn6  1  0.702  0.802  0.500  1.0
  O  O7  1  0.119  0.056  0.500  1.0
  O  O8  1  0.994  0.289  0.000  1.0
  O  O9  1  0.315  0.368  0.000  1.0
  O  O10  1  0.991  0.681  0.000  1.0
  O  O11  1  0.677  0.983  0.000  1.0
  O  O12  1  0.585  0.227  0.500  1.0
  O  O13  1  0.167  0.592  0.500  1.0
  O  O14  1  0.813  0.371  0.500  1.0
  O  O15  1  0.691  0.605  0.000  1.0
  O  O16  1  0.332  0.988  0.000  1.0
  F  F17  1  0.447  0.768  0.500  1.0
  F  F18  1  0.888  0.926  0.500  1.0
[/CIF]
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The material structure described by MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(10), one O(5), two equivalent O(6), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O4F2 octahedra, and  a faceface with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(6)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(10), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 51-69°. In the third Mn site, Mn(3) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(6)O4F square pyramids, edges with two equivalent Mn(4)O6 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(10), one O(3), two equivalent O(7), and two equivalent F(1) atoms. In the sixth Mn site, Mn(6) is bonded to two equivalent O(5), two equivalent O(9), and one F(2) atom to form MnO4F square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O4F square pyramids. The corner-sharing octahedral tilt angles range from 46-69°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form corner-sharing OMgMn3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(4) 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 trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms to form corner-sharing OMgMn3 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(5) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(6) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.982
_cell_length_b   6.407
_cell_length_c   2.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.545
_symmetry_Int_Tables_number   1
_cell_volume   216.585
_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  0.504  0.994  0.000  1.0
  Mn  Mn1  1  0.015  0.997  0.000  1.0
  Mn  Mn2  1  0.301  0.168  0.500  1.0
  Mn  Mn3  1  0.995  0.487  0.500  1.0
  Mn  Mn4  1  0.707  0.317  0.000  1.0
  Mn  Mn5  1  0.273  0.642  0.000  1.0
  Mn  Mn6  1  0.702  0.802  0.500  1.0
  O  O7  1  0.119  0.056  0.500  1.0
  O  O8  1  0.994  0.289  0.000  1.0
  O  O9  1  0.315  0.368  0.000  1.0
  O  O10  1  0.991  0.681  0.000  1.0
  O  O11  1  0.677  0.983  0.000  1.0
  O  O12  1  0.585  0.227  0.500  1.0
  O  O13  1  0.167  0.592  0.500  1.0
  O  O14  1  0.813  0.371  0.500  1.0
  O  O15  1  0.691  0.605  0.000  1.0
  O  O16  1  0.332  0.988  0.000  1.0
  F  F17  1  0.447  0.768  0.500  1.0
  F  F18  1  0.888  0.926  0.500  1.0
[/CIF]
.