The crystal structure described by Mn2OF2 crystallizes in the monoclinic Cc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form distorted MnO2F3 trigonal bipyramids that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with six equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted OMn4 tetrahedra that share corners with four equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent F(2)Mn4 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) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent O(1)Mn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   5.832
_cell_length_c   5.496
_cell_angle_alpha   94.525
_cell_angle_beta   115.663
_cell_angle_gamma   117.099
_symmetry_Int_Tables_number   1
_cell_volume   132.713
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.224  0.917  0.568  1.0
  Mn  Mn1  1  0.699  0.059  0.336  1.0
  Mn  Mn2  1  0.348  0.417  0.193  1.0
  Mn  Mn3  1  0.722  0.559  0.860  1.0
  O  O4  1  0.519  0.243  0.481  1.0
  O  O5  1  0.762  0.743  0.224  1.0
  F  F6  1  0.198  0.795  0.925  1.0
  F  F7  1  0.870  0.295  0.097  1.0
  F  F8  1  0.172  0.237  0.750  1.0
  F  F9  1  0.487  0.737  0.565  1.0
[/CIF]
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The crystal structure described by Mn2OF2 crystallizes in the monoclinic Cc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), and two equivalent F(2) atoms to form distorted MnO2F3 trigonal bipyramids that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with six equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O2F3 trigonal bipyramids, and edges with three equivalent Mn(1)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted OMn4 tetrahedra that share corners with four equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent F(2)Mn4 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) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(2)Mn4 trigonal pyramids, and edges with three equivalent O(1)Mn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   5.832
_cell_length_c   5.496
_cell_angle_alpha   94.525
_cell_angle_beta   115.663
_cell_angle_gamma   117.099
_symmetry_Int_Tables_number   1
_cell_volume   132.713
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.224  0.917  0.568  1.0
  Mn  Mn1  1  0.699  0.059  0.336  1.0
  Mn  Mn2  1  0.348  0.417  0.193  1.0
  Mn  Mn3  1  0.722  0.559  0.860  1.0
  O  O4  1  0.519  0.243  0.481  1.0
  O  O5  1  0.762  0.743  0.224  1.0
  F  F6  1  0.198  0.795  0.925  1.0
  F  F7  1  0.870  0.295  0.097  1.0
  F  F8  1  0.172  0.237  0.750  1.0
  F  F9  1  0.487  0.737  0.565  1.0
[/CIF]
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