The crystal structure described by Mn2O3F crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share edges with two equivalent Mn(1)O4F2 octahedra and edges with four equivalent Mn(2)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(2), four equivalent O(1), and one F(1) atom to form MnO5F octahedra that share edges with two equivalent Mn(2)O5F octahedra and edges with four equivalent Mn(1)O4F2 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. F(1) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   6.370
_cell_length_c   8.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.073
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.219  0.750  0.248  1.0
  Mn  Mn3  1  0.281  0.250  0.748  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.719  0.750  0.252  1.0
  Mn  Mn7  1  0.781  0.250  0.752  1.0
  O  O8  1  0.029  0.048  0.766  1.0
  O  O9  1  0.029  0.452  0.766  1.0
  O  O10  1  0.198  0.750  0.017  1.0
  O  O11  1  0.302  0.250  0.517  1.0
  O  O12  1  0.471  0.952  0.266  1.0
  O  O13  1  0.471  0.548  0.266  1.0
  O  O14  1  0.529  0.048  0.734  1.0
  O  O15  1  0.529  0.452  0.734  1.0
  O  O16  1  0.698  0.750  0.483  1.0
  O  O17  1  0.802  0.250  0.983  1.0
  O  O18  1  0.971  0.952  0.234  1.0
  O  O19  1  0.971  0.548  0.234  1.0
  F  F20  1  0.219  0.750  0.484  1.0
  F  F21  1  0.281  0.250  0.984  1.0
  F  F22  1  0.719  0.750  0.016  1.0
  F  F23  1  0.781  0.250  0.516  1.0
[/CIF]
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The crystal structure described by Mn2O3F crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share edges with two equivalent Mn(1)O4F2 octahedra and edges with four equivalent Mn(2)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(2), four equivalent O(1), and one F(1) atom to form MnO5F octahedra that share edges with two equivalent Mn(2)O5F octahedra and edges with four equivalent Mn(1)O4F2 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. F(1) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   6.370
_cell_length_c   8.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.073
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.219  0.750  0.248  1.0
  Mn  Mn3  1  0.281  0.250  0.748  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.719  0.750  0.252  1.0
  Mn  Mn7  1  0.781  0.250  0.752  1.0
  O  O8  1  0.029  0.048  0.766  1.0
  O  O9  1  0.029  0.452  0.766  1.0
  O  O10  1  0.198  0.750  0.017  1.0
  O  O11  1  0.302  0.250  0.517  1.0
  O  O12  1  0.471  0.952  0.266  1.0
  O  O13  1  0.471  0.548  0.266  1.0
  O  O14  1  0.529  0.048  0.734  1.0
  O  O15  1  0.529  0.452  0.734  1.0
  O  O16  1  0.698  0.750  0.483  1.0
  O  O17  1  0.802  0.250  0.983  1.0
  O  O18  1  0.971  0.952  0.234  1.0
  O  O19  1  0.971  0.548  0.234  1.0
  F  F20  1  0.219  0.750  0.484  1.0
  F  F21  1  0.281  0.250  0.984  1.0
  F  F22  1  0.719  0.750  0.016  1.0
  F  F23  1  0.781  0.250  0.516  1.0
[/CIF]
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