The structure described by MgFe2(OF)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form MgO4F2 octahedra that share edges with two equivalent Mg(1)O4F2 octahedra and edges with four equivalent Fe(1)O2F4 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form FeO2F4 octahedra that share edges with two equivalent Fe(1)O2F4 octahedra and edges with four equivalent Mg(1)O4F2 octahedra. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Fe(2) atoms to form a mixture of corner and edge-sharing OMg2Fe3 trigonal bipyramids. F(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.417
_cell_length_c   3.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.196
_symmetry_Int_Tables_number   1
_cell_volume   85.849
_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  0.000  0.500  0.460  1.0
  Fe  Fe1  1  0.000  0.000  0.961  1.0
  Fe  Fe2  1  0.500  0.500  0.462  1.0
  O  O3  1  0.225  0.412  0.961  1.0
  O  O4  1  0.775  0.588  0.961  1.0
  F  F5  1  0.208  0.890  0.462  1.0
  F  F6  1  0.792  0.110  0.462  1.0
[/CIF]
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The structure described by MgFe2(OF)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form MgO4F2 octahedra that share edges with two equivalent Mg(1)O4F2 octahedra and edges with four equivalent Fe(1)O2F4 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form FeO2F4 octahedra that share edges with two equivalent Fe(1)O2F4 octahedra and edges with four equivalent Mg(1)O4F2 octahedra. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Mg(1), one Fe(1), and two equivalent Fe(2) atoms to form a mixture of corner and edge-sharing OMg2Fe3 trigonal bipyramids. F(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.417
_cell_length_c   3.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.196
_symmetry_Int_Tables_number   1
_cell_volume   85.849
_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  0.000  0.500  0.460  1.0
  Fe  Fe1  1  0.000  0.000  0.961  1.0
  Fe  Fe2  1  0.500  0.500  0.462  1.0
  O  O3  1  0.225  0.412  0.961  1.0
  O  O4  1  0.775  0.588  0.961  1.0
  F  F5  1  0.208  0.890  0.462  1.0
  F  F6  1  0.792  0.110  0.462  1.0
[/CIF]
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