The structure described by MgMn6(O2F)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.925
_cell_length_b   4.922
_cell_length_c   9.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   222.013
_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  0.500  0.000  0.585  1.0
  Mn  Mn1  1  0.000  1.000  0.019  1.0
  Mn  Mn2  1  0.000  1.000  0.330  1.0
  Mn  Mn3  1  0.000  0.000  0.669  1.0
  Mn  Mn4  1  0.500  0.500  0.837  1.0
  Mn  Mn5  1  0.500  0.500  0.148  1.0
  Mn  Mn6  1  0.500  0.500  0.498  1.0
  O  O7  1  0.185  0.815  0.170  1.0
  O  O8  1  0.204  0.809  0.496  1.0
  O  O9  1  0.315  0.315  0.997  1.0
  O  O10  1  0.308  0.298  0.671  1.0
  O  O11  1  0.685  0.685  0.997  1.0
  O  O12  1  0.692  0.702  0.671  1.0
  O  O13  1  0.815  0.185  0.170  1.0
  O  O14  1  0.796  0.191  0.496  1.0
  F  F15  1  0.189  0.819  0.843  1.0
  F  F16  1  0.318  0.312  0.323  1.0
  F  F17  1  0.682  0.688  0.323  1.0
  F  F18  1  0.811  0.181  0.843  1.0
[/CIF]
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The structure described by MgMn6(O2F)4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.925
_cell_length_b   4.922
_cell_length_c   9.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   222.013
_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  0.500  0.000  0.585  1.0
  Mn  Mn1  1  0.000  1.000  0.019  1.0
  Mn  Mn2  1  0.000  1.000  0.330  1.0
  Mn  Mn3  1  0.000  0.000  0.669  1.0
  Mn  Mn4  1  0.500  0.500  0.837  1.0
  Mn  Mn5  1  0.500  0.500  0.148  1.0
  Mn  Mn6  1  0.500  0.500  0.498  1.0
  O  O7  1  0.185  0.815  0.170  1.0
  O  O8  1  0.204  0.809  0.496  1.0
  O  O9  1  0.315  0.315  0.997  1.0
  O  O10  1  0.308  0.298  0.671  1.0
  O  O11  1  0.685  0.685  0.997  1.0
  O  O12  1  0.692  0.702  0.671  1.0
  O  O13  1  0.815  0.185  0.170  1.0
  O  O14  1  0.796  0.191  0.496  1.0
  F  F15  1  0.189  0.819  0.843  1.0
  F  F16  1  0.318  0.312  0.323  1.0
  F  F17  1  0.682  0.688  0.323  1.0
  F  F18  1  0.811  0.181  0.843  1.0
[/CIF]
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