The crystal structure described by Mn2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.769
_cell_length_b   5.710
_cell_length_c   11.042
_cell_angle_alpha   82.821
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.305
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.532  0.740  0.267  1.0
  Mn  Mn3  1  0.468  0.260  0.733  1.0
  Mn  Mn4  1  0.032  0.260  0.233  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.968  0.740  0.767  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.797  0.736  0.938  1.0
  O  O9  1  0.703  0.736  0.438  1.0
  O  O10  1  0.297  0.264  0.562  1.0
  O  O11  1  0.203  0.264  0.062  1.0
  F  F12  1  0.801  0.237  0.413  1.0
  F  F13  1  0.816  0.464  0.674  1.0
  F  F14  1  0.807  0.974  0.169  1.0
  F  F15  1  0.684  0.464  0.174  1.0
  F  F16  1  0.699  0.237  0.913  1.0
  F  F17  1  0.693  0.974  0.669  1.0
  F  F18  1  0.316  0.536  0.826  1.0
  F  F19  1  0.301  0.763  0.087  1.0
  F  F20  1  0.307  0.026  0.331  1.0
  F  F21  1  0.193  0.026  0.831  1.0
  F  F22  1  0.184  0.536  0.326  1.0
  F  F23  1  0.199  0.763  0.587  1.0
[/CIF]
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The crystal structure described by Mn2OF3 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.769
_cell_length_b   5.710
_cell_length_c   11.042
_cell_angle_alpha   82.821
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.305
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.532  0.740  0.267  1.0
  Mn  Mn3  1  0.468  0.260  0.733  1.0
  Mn  Mn4  1  0.032  0.260  0.233  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.968  0.740  0.767  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.797  0.736  0.938  1.0
  O  O9  1  0.703  0.736  0.438  1.0
  O  O10  1  0.297  0.264  0.562  1.0
  O  O11  1  0.203  0.264  0.062  1.0
  F  F12  1  0.801  0.237  0.413  1.0
  F  F13  1  0.816  0.464  0.674  1.0
  F  F14  1  0.807  0.974  0.169  1.0
  F  F15  1  0.684  0.464  0.174  1.0
  F  F16  1  0.699  0.237  0.913  1.0
  F  F17  1  0.693  0.974  0.669  1.0
  F  F18  1  0.316  0.536  0.826  1.0
  F  F19  1  0.301  0.763  0.087  1.0
  F  F20  1  0.307  0.026  0.331  1.0
  F  F21  1  0.193  0.026  0.831  1.0
  F  F22  1  0.184  0.536  0.326  1.0
  F  F23  1  0.199  0.763  0.587  1.0
[/CIF]
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