The material described by Mn2OF3 is Rutile-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)F6 octahedra and edges with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 48°. O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.201
_cell_length_b   6.201
_cell_length_c   4.862
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.919
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.667  0.655  1.0
  O  O5  1  0.667  0.333  0.345  1.0
  F  F6  1  0.162  0.838  0.258  1.0
  F  F7  1  0.162  0.324  0.258  1.0
  F  F8  1  0.676  0.838  0.258  1.0
  F  F9  1  0.324  0.162  0.742  1.0
  F  F10  1  0.838  0.676  0.742  1.0
  F  F11  1  0.838  0.162  0.742  1.0
[/CIF]
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The material described by Mn2OF3 is Rutile-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)F6 octahedra and edges with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 48°. O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.201
_cell_length_b   6.201
_cell_length_c   4.862
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.919
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.667  0.655  1.0
  O  O5  1  0.667  0.333  0.345  1.0
  F  F6  1  0.162  0.838  0.258  1.0
  F  F7  1  0.162  0.324  0.258  1.0
  F  F8  1  0.676  0.838  0.258  1.0
  F  F9  1  0.324  0.162  0.742  1.0
  F  F10  1  0.838  0.676  0.742  1.0
  F  F11  1  0.838  0.162  0.742  1.0
[/CIF]
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