The material structure described by MgMn6(O5F)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(5), one O(6), two equivalent O(10), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(4)O5 square pyramids, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(5)O6 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O5 square pyramids, corners with four equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(10), and two equivalent F(1) atoms. In the third Mn site, Mn(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(9), two equivalent O(3), and two equivalent O(6) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-74°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the sixth Mn site, Mn(6) is bonded to one O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(5) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(6)MgMn3 tetrahedra, corners with two equivalent O(10)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(5)MgMn3 trigonal pyramids, and edges with two equivalent O(10)Mg2Mn3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(4) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(6)MgMn3 tetrahedra, corners with two equivalent O(5)MgMn3 trigonal pyramids, and edges with two equivalent O(10)Mg2Mn3 trigonal bipyramids. 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 in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Mn(5), and two equivalent Mn(2) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(5)MgMn3 trigonal pyramids, edges with two equivalent O(6)MgMn3 tetrahedra, edges with two equivalent O(10)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)MgMn3 trigonal pyramids. 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(2) atoms. In the second F site, F(2) is bonded in an L-shaped geometry to 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   5.088
_cell_length_b   14.116
_cell_length_c   2.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.871
_symmetry_Int_Tables_number   1
_cell_volume   211.951
_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  0.423  0.320  0.000  1.0
  Mn  Mn1  1  0.024  0.989  0.000  1.0
  Mn  Mn2  1  0.924  0.366  0.000  1.0
  Mn  Mn3  1  0.035  0.663  0.000  1.0
  Mn  Mn4  1  0.571  0.133  0.500  1.0
  Mn  Mn5  1  0.480  0.517  0.500  1.0
  Mn  Mn6  1  0.475  0.845  0.500  1.0
  O  O7  1  0.190  0.602  0.500  1.0
  O  O8  1  0.179  0.927  0.500  1.0
  O  O9  1  0.351  0.082  0.000  1.0
  O  O10  1  0.332  0.764  0.000  1.0
  O  O11  1  0.275  0.449  0.000  1.0
  O  O12  1  0.683  0.226  0.000  1.0
  O  O13  1  0.692  0.572  0.000  1.0
  O  O14  1  0.696  0.897  0.000  1.0
  O  O15  1  0.878  0.055  0.500  1.0
  O  O16  1  0.668  0.395  0.500  1.0
  F  F17  1  0.173  0.281  0.500  1.0
  F  F18  1  0.868  0.728  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(5), one O(6), two equivalent O(10), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(4)O5 square pyramids, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(5)O6 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O5 square pyramids, corners with four equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(10), and two equivalent F(1) atoms. In the third Mn site, Mn(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(9), two equivalent O(3), and two equivalent O(6) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-74°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the sixth Mn site, Mn(6) is bonded to one O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(5) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(6)MgMn3 tetrahedra, corners with two equivalent O(10)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(5)MgMn3 trigonal pyramids, and edges with two equivalent O(10)Mg2Mn3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(4) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(6)MgMn3 tetrahedra, corners with two equivalent O(5)MgMn3 trigonal pyramids, and edges with two equivalent O(10)Mg2Mn3 trigonal bipyramids. 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 in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Mg(1), one Mn(5), and two equivalent Mn(2) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(5)MgMn3 trigonal pyramids, edges with two equivalent O(6)MgMn3 tetrahedra, edges with two equivalent O(10)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)MgMn3 trigonal pyramids. 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(2) atoms. In the second F site, F(2) is bonded in an L-shaped geometry to 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   5.088
_cell_length_b   14.116
_cell_length_c   2.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.871
_symmetry_Int_Tables_number   1
_cell_volume   211.951
_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  0.423  0.320  0.000  1.0
  Mn  Mn1  1  0.024  0.989  0.000  1.0
  Mn  Mn2  1  0.924  0.366  0.000  1.0
  Mn  Mn3  1  0.035  0.663  0.000  1.0
  Mn  Mn4  1  0.571  0.133  0.500  1.0
  Mn  Mn5  1  0.480  0.517  0.500  1.0
  Mn  Mn6  1  0.475  0.845  0.500  1.0
  O  O7  1  0.190  0.602  0.500  1.0
  O  O8  1  0.179  0.927  0.500  1.0
  O  O9  1  0.351  0.082  0.000  1.0
  O  O10  1  0.332  0.764  0.000  1.0
  O  O11  1  0.275  0.449  0.000  1.0
  O  O12  1  0.683  0.226  0.000  1.0
  O  O13  1  0.692  0.572  0.000  1.0
  O  O14  1  0.696  0.897  0.000  1.0
  O  O15  1  0.878  0.055  0.500  1.0
  O  O16  1  0.668  0.395  0.500  1.0
  F  F17  1  0.173  0.281  0.500  1.0
  F  F18  1  0.868  0.728  0.500  1.0
[/CIF]
.