The crystal structure described by MnOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Mn(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. O(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.536
_cell_length_b   5.700
_cell_length_c   5.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.925
_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  0.014  0.849  0.724  1.0
  Mn  Mn1  1  0.014  0.151  0.224  1.0
  Mn  Mn2  1  0.514  0.349  0.776  1.0
  Mn  Mn3  1  0.514  0.651  0.276  1.0
  O  O4  1  0.226  0.116  0.903  1.0
  O  O5  1  0.226  0.884  0.403  1.0
  O  O6  1  0.726  0.384  0.097  1.0
  O  O7  1  0.726  0.616  0.597  1.0
  F  F8  1  0.260  0.382  0.463  1.0
  F  F9  1  0.260  0.618  0.963  1.0
  F  F10  1  0.760  0.118  0.537  1.0
  F  F11  1  0.760  0.882  0.037  1.0
[/CIF]
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The crystal structure described by MnOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Mn(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. O(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.536
_cell_length_b   5.700
_cell_length_c   5.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.925
_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  0.014  0.849  0.724  1.0
  Mn  Mn1  1  0.014  0.151  0.224  1.0
  Mn  Mn2  1  0.514  0.349  0.776  1.0
  Mn  Mn3  1  0.514  0.651  0.276  1.0
  O  O4  1  0.226  0.116  0.903  1.0
  O  O5  1  0.226  0.884  0.403  1.0
  O  O6  1  0.726  0.384  0.097  1.0
  O  O7  1  0.726  0.616  0.597  1.0
  F  F8  1  0.260  0.382  0.463  1.0
  F  F9  1  0.260  0.618  0.963  1.0
  F  F10  1  0.760  0.118  0.537  1.0
  F  F11  1  0.760  0.882  0.037  1.0
[/CIF]
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