The crystal structure described by Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one F(3), and four equivalent F(1) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(5)O2F4 octahedra and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the second Mn site, Mn(2) is bonded to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third Mn site, Mn(3) is bonded to one O(2), one F(5), and four equivalent F(2) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(4)O2F4 octahedra and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(4), one F(5), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)OF5 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one F(3), one F(4), and two equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. There are five 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(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   4.872
_cell_length_c   12.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.419
_symmetry_Int_Tables_number   1
_cell_volume   301.710
_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  0.964  0.964  0.000  1.0
  Mn  Mn1  1  0.023  0.023  0.249  1.0
  Mn  Mn2  1  0.016  0.016  0.500  1.0
  Mn  Mn3  1  0.023  0.023  0.751  1.0
  Mn  Mn4  1  0.485  0.485  0.625  1.0
  Mn  Mn5  1  0.495  0.495  0.125  1.0
  Mn  Mn6  1  0.485  0.485  0.375  1.0
  Mn  Mn7  1  0.495  0.495  0.875  1.0
  O  O8  1  0.319  0.319  0.247  1.0
  O  O9  1  0.307  0.307  0.500  1.0
  O  O10  1  0.319  0.319  0.753  1.0
  O  O11  1  0.667  0.667  0.000  1.0
  F  F12  1  0.794  0.196  0.125  1.0
  F  F13  1  0.812  0.200  0.376  1.0
  F  F14  1  0.812  0.200  0.624  1.0
  F  F15  1  0.794  0.196  0.875  1.0
  F  F16  1  0.278  0.278  0.000  1.0
  F  F17  1  0.708  0.708  0.255  1.0
  F  F18  1  0.702  0.702  0.500  1.0
  F  F19  1  0.708  0.708  0.745  1.0
  F  F20  1  0.196  0.794  0.125  1.0
  F  F21  1  0.200  0.812  0.376  1.0
  F  F22  1  0.200  0.812  0.624  1.0
  F  F23  1  0.196  0.794  0.875  1.0
[/CIF]
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The crystal structure described by Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one F(3), and four equivalent F(1) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(5)O2F4 octahedra and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the second Mn site, Mn(2) is bonded to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third Mn site, Mn(3) is bonded to one O(2), one F(5), and four equivalent F(2) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(4)O2F4 octahedra and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(4), one F(5), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)OF5 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one F(3), one F(4), and two equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. There are five 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(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   4.872
_cell_length_c   12.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.419
_symmetry_Int_Tables_number   1
_cell_volume   301.710
_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  0.964  0.964  0.000  1.0
  Mn  Mn1  1  0.023  0.023  0.249  1.0
  Mn  Mn2  1  0.016  0.016  0.500  1.0
  Mn  Mn3  1  0.023  0.023  0.751  1.0
  Mn  Mn4  1  0.485  0.485  0.625  1.0
  Mn  Mn5  1  0.495  0.495  0.125  1.0
  Mn  Mn6  1  0.485  0.485  0.375  1.0
  Mn  Mn7  1  0.495  0.495  0.875  1.0
  O  O8  1  0.319  0.319  0.247  1.0
  O  O9  1  0.307  0.307  0.500  1.0
  O  O10  1  0.319  0.319  0.753  1.0
  O  O11  1  0.667  0.667  0.000  1.0
  F  F12  1  0.794  0.196  0.125  1.0
  F  F13  1  0.812  0.200  0.376  1.0
  F  F14  1  0.812  0.200  0.624  1.0
  F  F15  1  0.794  0.196  0.875  1.0
  F  F16  1  0.278  0.278  0.000  1.0
  F  F17  1  0.708  0.708  0.255  1.0
  F  F18  1  0.702  0.702  0.500  1.0
  F  F19  1  0.708  0.708  0.745  1.0
  F  F20  1  0.196  0.794  0.125  1.0
  F  F21  1  0.200  0.812  0.376  1.0
  F  F22  1  0.200  0.812  0.624  1.0
  F  F23  1  0.196  0.794  0.875  1.0
[/CIF]
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