The crystal structure described by MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), one O(9), two equivalent O(4), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(1)O6 octahedra. 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(6)O5F octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(10) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-73°. 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(6)O5F octahedra, 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 49-52°. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one O(9), two equivalent O(4), and two equivalent F(1) atoms. 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)O5 square pyramids, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the sixth Mn site, Mn(6) is bonded to one O(3), two equivalent O(5), two equivalent O(8), and one F(2) atom to form distorted MnO5F octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(1)MgMn3 tetrahedra, corners with two equivalent O(9)MgMn3 trigonal pyramids, and edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids. 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 distorted trigonal planar geometry to 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(1)MgMn3 tetrahedra, 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 trigonal planar geometry to 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(1)MgMn3 tetrahedra, 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 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(4) atoms. In the second F site, F(2) is bonded in a 3-coordinate 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   5.091
_cell_length_b   13.912
_cell_length_c   2.971
_cell_angle_alpha   89.991
_cell_angle_beta   90.007
_cell_angle_gamma   88.101
_symmetry_Int_Tables_number   1
_cell_volume   210.269
_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  0.898  0.181  0.489  1.0
  Mn  Mn1  1  0.917  0.984  0.989  1.0
  Mn  Mn2  1  0.105  0.368  0.989  1.0
  Mn  Mn3  1  0.077  0.659  0.989  1.0
  Mn  Mn4  1  0.389  0.128  0.489  1.0
  Mn  Mn5  1  0.600  0.513  0.489  1.0
  Mn  Mn6  1  0.461  0.833  0.489  1.0
  O  O7  1  0.184  0.276  0.489  1.0
  O  O8  1  0.248  0.595  0.489  1.0
  O  O9  1  0.122  0.934  0.489  1.0
  O  O10  1  0.119  0.106  0.989  1.0
  O  O11  1  0.336  0.757  0.989  1.0
  O  O12  1  0.437  0.446  0.989  1.0
  O  O13  1  0.753  0.583  0.989  1.0
  O  O14  1  0.650  0.889  0.989  1.0
  O  O15  1  0.723  0.050  0.489  1.0
  O  O16  1  0.903  0.422  0.489  1.0
  F  F17  1  0.657  0.218  0.989  1.0
  F  F18  1  0.893  0.730  0.489  1.0
[/CIF]
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The crystal structure described by MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), one O(9), two equivalent O(4), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(1)O6 octahedra. 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(6)O5F octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(10) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-73°. 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(6)O5F octahedra, 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 49-52°. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one O(9), two equivalent O(4), and two equivalent F(1) atoms. 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)O5 square pyramids, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the sixth Mn site, Mn(6) is bonded to one O(3), two equivalent O(5), two equivalent O(8), and one F(2) atom to form distorted MnO5F octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(1)MgMn3 tetrahedra, corners with two equivalent O(9)MgMn3 trigonal pyramids, and edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids. 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 distorted trigonal planar geometry to 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(1)MgMn3 tetrahedra, 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 trigonal planar geometry to 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(1)MgMn3 tetrahedra, 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 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(4) atoms. In the second F site, F(2) is bonded in a 3-coordinate 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   5.091
_cell_length_b   13.912
_cell_length_c   2.971
_cell_angle_alpha   89.991
_cell_angle_beta   90.007
_cell_angle_gamma   88.101
_symmetry_Int_Tables_number   1
_cell_volume   210.269
_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  0.898  0.181  0.489  1.0
  Mn  Mn1  1  0.917  0.984  0.989  1.0
  Mn  Mn2  1  0.105  0.368  0.989  1.0
  Mn  Mn3  1  0.077  0.659  0.989  1.0
  Mn  Mn4  1  0.389  0.128  0.489  1.0
  Mn  Mn5  1  0.600  0.513  0.489  1.0
  Mn  Mn6  1  0.461  0.833  0.489  1.0
  O  O7  1  0.184  0.276  0.489  1.0
  O  O8  1  0.248  0.595  0.489  1.0
  O  O9  1  0.122  0.934  0.489  1.0
  O  O10  1  0.119  0.106  0.989  1.0
  O  O11  1  0.336  0.757  0.989  1.0
  O  O12  1  0.437  0.446  0.989  1.0
  O  O13  1  0.753  0.583  0.989  1.0
  O  O14  1  0.650  0.889  0.989  1.0
  O  O15  1  0.723  0.050  0.489  1.0
  O  O16  1  0.903  0.422  0.489  1.0
  F  F17  1  0.657  0.218  0.989  1.0
  F  F18  1  0.893  0.730  0.489  1.0
[/CIF]
.