The compound described by MnOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.040
_cell_length_b   4.825
_cell_length_c   4.825
_cell_angle_alpha   80.420
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.803
_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
  F  F0  1  0.500  0.814  0.814  1.0
  F  F1  1  0.500  0.186  0.186  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  1.000  1.000  1.000  1.0
  O  O4  1  1.000  0.303  0.697  1.0
  O  O5  1  1.000  0.697  0.303  1.0
[/CIF]
.
The compound described by MnOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.040
_cell_length_b   4.825
_cell_length_c   4.825
_cell_angle_alpha   80.420
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.803
_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
  F  F0  1  0.500  0.814  0.814  1.0
  F  F1  1  0.500  0.186  0.186  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  1.000  1.000  1.000  1.0
  O  O4  1  1.000  0.303  0.697  1.0
  O  O5  1  1.000  0.697  0.303  1.0
[/CIF]
.