The structure described by Mn3O5F 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), two equivalent O(1), two equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Mn site, Mn(3) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.541
_cell_length_b   4.541
_cell_length_c   9.004
_cell_angle_alpha   89.647
_cell_angle_beta   89.647
_cell_angle_gamma   88.254
_symmetry_Int_Tables_number   1
_cell_volume   185.594
_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
  Mn  Mn0  1  0.994  0.994  0.840  1.0
  Mn  Mn1  1  0.006  0.006  0.160  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.523  0.523  0.667  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.477  0.477  0.333  1.0
  O  O6  1  0.806  0.806  0.001  1.0
  O  O7  1  0.811  0.811  0.670  1.0
  O  O8  1  0.699  0.309  0.834  1.0
  O  O9  1  0.691  0.301  0.166  1.0
  O  O10  1  0.692  0.308  0.500  1.0
  O  O11  1  0.309  0.699  0.834  1.0
  O  O12  1  0.301  0.691  0.166  1.0
  O  O13  1  0.308  0.692  0.500  1.0
  O  O14  1  0.194  0.194  0.999  1.0
  O  O15  1  0.189  0.189  0.330  1.0
  F  F16  1  0.790  0.790  0.323  1.0
  F  F17  1  0.210  0.210  0.677  1.0
[/CIF]
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The structure described by Mn3O5F 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), two equivalent O(1), two equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Mn site, Mn(3) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.541
_cell_length_b   4.541
_cell_length_c   9.004
_cell_angle_alpha   89.647
_cell_angle_beta   89.647
_cell_angle_gamma   88.254
_symmetry_Int_Tables_number   1
_cell_volume   185.594
_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
  Mn  Mn0  1  0.994  0.994  0.840  1.0
  Mn  Mn1  1  0.006  0.006  0.160  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.523  0.523  0.667  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.477  0.477  0.333  1.0
  O  O6  1  0.806  0.806  0.001  1.0
  O  O7  1  0.811  0.811  0.670  1.0
  O  O8  1  0.699  0.309  0.834  1.0
  O  O9  1  0.691  0.301  0.166  1.0
  O  O10  1  0.692  0.308  0.500  1.0
  O  O11  1  0.309  0.699  0.834  1.0
  O  O12  1  0.301  0.691  0.166  1.0
  O  O13  1  0.308  0.692  0.500  1.0
  O  O14  1  0.194  0.194  0.999  1.0
  O  O15  1  0.189  0.189  0.330  1.0
  F  F16  1  0.790  0.790  0.323  1.0
  F  F17  1  0.210  0.210  0.677  1.0
[/CIF]
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