The material structure described by MnOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_12_12 space group. Mn(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. O(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted T-shaped 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   4.647
_cell_length_b   4.647
_cell_length_c   6.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.491
_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  0.972  0.972  0.000  1.0
  Mn  Mn1  1  0.028  0.028  0.500  1.0
  Mn  Mn2  1  0.528  0.472  0.250  1.0
  Mn  Mn3  1  0.472  0.528  0.750  1.0
  O  O4  1  0.176  0.824  0.750  1.0
  O  O5  1  0.324  0.324  0.500  1.0
  O  O6  1  0.676  0.676  0.000  1.0
  O  O7  1  0.824  0.176  0.250  1.0
  F  F8  1  0.225  0.775  0.250  1.0
  F  F9  1  0.275  0.275  0.000  1.0
  F  F10  1  0.725  0.725  0.500  1.0
  F  F11  1  0.775  0.225  0.750  1.0
[/CIF]
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The material structure described by MnOF is Hydrophilite-derived structured and crystallizes in the tetragonal P4_12_12 space group. Mn(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. O(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. F(1) is bonded in a distorted T-shaped 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   4.647
_cell_length_b   4.647
_cell_length_c   6.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.491
_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  0.972  0.972  0.000  1.0
  Mn  Mn1  1  0.028  0.028  0.500  1.0
  Mn  Mn2  1  0.528  0.472  0.250  1.0
  Mn  Mn3  1  0.472  0.528  0.750  1.0
  O  O4  1  0.176  0.824  0.750  1.0
  O  O5  1  0.324  0.324  0.500  1.0
  O  O6  1  0.676  0.676  0.000  1.0
  O  O7  1  0.824  0.176  0.250  1.0
  F  F8  1  0.225  0.775  0.250  1.0
  F  F9  1  0.275  0.275  0.000  1.0
  F  F10  1  0.725  0.725  0.500  1.0
  F  F11  1  0.775  0.225  0.750  1.0
[/CIF]
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