The crystal structure described by MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with four equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, edges with two equivalent Mn(3)O5 trigonal bipyramids, and faces with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(3)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with six equivalent Mn(3)O5 trigonal bipyramids, edges with two equivalent Mn(1)O5F octahedra, and faces with two equivalent Mg(1)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(1)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-77°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with eight equivalent Mn(1)O5F octahedra and edges with two equivalent Mn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Mn(4) and two equivalent Mn(1) atoms. F(1) is bonded in a T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   5.167
_cell_length_c   8.762
_cell_angle_alpha   89.998
_cell_angle_beta   90.006
_cell_angle_gamma   101.201
_symmetry_Int_Tables_number   1
_cell_volume   225.288
_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  0.520  0.046  0.666  1.0
  Mn  Mn1  1  0.020  0.989  0.009  1.0
  Mn  Mn2  1  0.020  0.989  0.324  1.0
  Mn  Mn3  1  0.016  0.965  0.667  1.0
  Mn  Mn4  1  0.452  0.544  0.841  1.0
  Mn  Mn5  1  0.516  0.498  0.167  1.0
  Mn  Mn6  1  0.452  0.544  0.492  1.0
  O  O7  1  0.187  0.842  0.167  1.0
  O  O8  1  0.214  0.851  0.507  1.0
  O  O9  1  0.214  0.851  0.826  1.0
  O  O10  1  0.302  0.312  0.002  1.0
  O  O11  1  0.302  0.312  0.331  1.0
  O  O12  1  0.303  0.322  0.667  1.0
  O  O13  1  0.714  0.685  0.997  1.0
  O  O14  1  0.714  0.685  0.336  1.0
  O  O15  1  0.662  0.712  0.667  1.0
  O  O16  1  0.850  0.133  0.167  1.0
  F  F17  1  0.819  0.150  0.510  1.0
  F  F18  1  0.819  0.150  0.824  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(4), one O(6), two equivalent O(2), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with four equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, edges with two equivalent Mn(3)O5 trigonal bipyramids, and faces with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(3)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with six equivalent Mn(3)O5 trigonal bipyramids, edges with two equivalent Mn(1)O5F octahedra, and faces with two equivalent Mg(1)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(1)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-77°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with eight equivalent Mn(1)O5F octahedra and edges with two equivalent Mn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Mn(4) and two equivalent Mn(1) atoms. F(1) is bonded in a T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   5.167
_cell_length_c   8.762
_cell_angle_alpha   89.998
_cell_angle_beta   90.006
_cell_angle_gamma   101.201
_symmetry_Int_Tables_number   1
_cell_volume   225.288
_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  0.520  0.046  0.666  1.0
  Mn  Mn1  1  0.020  0.989  0.009  1.0
  Mn  Mn2  1  0.020  0.989  0.324  1.0
  Mn  Mn3  1  0.016  0.965  0.667  1.0
  Mn  Mn4  1  0.452  0.544  0.841  1.0
  Mn  Mn5  1  0.516  0.498  0.167  1.0
  Mn  Mn6  1  0.452  0.544  0.492  1.0
  O  O7  1  0.187  0.842  0.167  1.0
  O  O8  1  0.214  0.851  0.507  1.0
  O  O9  1  0.214  0.851  0.826  1.0
  O  O10  1  0.302  0.312  0.002  1.0
  O  O11  1  0.302  0.312  0.331  1.0
  O  O12  1  0.303  0.322  0.667  1.0
  O  O13  1  0.714  0.685  0.997  1.0
  O  O14  1  0.714  0.685  0.336  1.0
  O  O15  1  0.662  0.712  0.667  1.0
  O  O16  1  0.850  0.133  0.167  1.0
  F  F17  1  0.819  0.150  0.510  1.0
  F  F18  1  0.819  0.150  0.824  1.0
[/CIF]
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