The material structure described by Mn2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(2), and four equivalent F(4) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth Mn site, Mn(4) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.813
_cell_length_c   10.710
_cell_angle_alpha   69.364
_cell_angle_beta   69.364
_cell_angle_gamma   65.888
_symmetry_Int_Tables_number   1
_cell_volume   299.830
_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  0.266  0.266  0.017  1.0
  Mn  Mn1  1  0.881  0.371  0.750  1.0
  Mn  Mn2  1  0.119  0.629  0.250  1.0
  Mn  Mn3  1  0.734  0.734  0.983  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.371  0.881  0.750  1.0
  Mn  Mn7  1  0.629  0.119  0.250  1.0
  O  O8  1  0.084  0.084  0.662  1.0
  O  O9  1  0.916  0.916  0.338  1.0
  O  O10  1  0.665  0.665  0.835  1.0
  O  O11  1  0.335  0.335  0.165  1.0
  F  F12  1  0.100  0.602  0.602  1.0
  F  F13  1  0.185  0.185  0.858  1.0
  F  F14  1  0.578  0.578  0.647  1.0
  F  F15  1  0.815  0.815  0.142  1.0
  F  F16  1  0.900  0.398  0.398  1.0
  F  F17  1  0.151  0.658  0.899  1.0
  F  F18  1  0.658  0.151  0.899  1.0
  F  F19  1  0.602  0.100  0.602  1.0
  F  F20  1  0.849  0.342  0.101  1.0
  F  F21  1  0.342  0.849  0.101  1.0
  F  F22  1  0.422  0.422  0.353  1.0
  F  F23  1  0.398  0.900  0.398  1.0
[/CIF]
.
The material structure described by Mn2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(2), and four equivalent F(4) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth Mn site, Mn(4) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.813
_cell_length_c   10.710
_cell_angle_alpha   69.364
_cell_angle_beta   69.364
_cell_angle_gamma   65.888
_symmetry_Int_Tables_number   1
_cell_volume   299.830
_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  0.266  0.266  0.017  1.0
  Mn  Mn1  1  0.881  0.371  0.750  1.0
  Mn  Mn2  1  0.119  0.629  0.250  1.0
  Mn  Mn3  1  0.734  0.734  0.983  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.371  0.881  0.750  1.0
  Mn  Mn7  1  0.629  0.119  0.250  1.0
  O  O8  1  0.084  0.084  0.662  1.0
  O  O9  1  0.916  0.916  0.338  1.0
  O  O10  1  0.665  0.665  0.835  1.0
  O  O11  1  0.335  0.335  0.165  1.0
  F  F12  1  0.100  0.602  0.602  1.0
  F  F13  1  0.185  0.185  0.858  1.0
  F  F14  1  0.578  0.578  0.647  1.0
  F  F15  1  0.815  0.815  0.142  1.0
  F  F16  1  0.900  0.398  0.398  1.0
  F  F17  1  0.151  0.658  0.899  1.0
  F  F18  1  0.658  0.151  0.899  1.0
  F  F19  1  0.602  0.100  0.602  1.0
  F  F20  1  0.849  0.342  0.101  1.0
  F  F21  1  0.342  0.849  0.101  1.0
  F  F22  1  0.422  0.422  0.353  1.0
  F  F23  1  0.398  0.900  0.398  1.0
[/CIF]
.