The crystal structure described by Mn4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are seven 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(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_Mn4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   7.399
_cell_length_c   4.461
_cell_angle_alpha   89.890
_cell_angle_beta   89.890
_cell_angle_gamma   95.336
_symmetry_Int_Tables_number   1
_cell_volume   243.190
_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  0.950  0.563  0.523  1.0
  Mn  Mn1  1  0.050  0.950  0.500  1.0
  Mn  Mn2  1  0.437  0.050  0.477  1.0
  Mn  Mn3  1  0.554  0.446  0.500  1.0
  Mn  Mn4  1  0.210  0.301  0.986  1.0
  Mn  Mn5  1  0.303  0.697  0.000  1.0
  Mn  Mn6  1  0.699  0.790  0.014  1.0
  Mn  Mn7  1  0.801  0.199  0.000  1.0
  O  O8  1  0.019  0.158  0.769  1.0
  O  O9  1  0.154  0.519  0.775  1.0
  O  O10  1  0.518  0.653  0.768  1.0
  O  O11  1  0.265  0.906  0.728  1.0
  O  O12  1  0.408  0.263  0.724  1.0
  O  O13  1  0.905  0.770  0.741  1.0
  O  O14  1  0.767  0.408  0.735  1.0
  O  O15  1  0.230  0.095  0.259  1.0
  O  O16  1  0.737  0.592  0.276  1.0
  O  O17  1  0.094  0.735  0.272  1.0
  O  O18  1  0.592  0.233  0.265  1.0
  O  O19  1  0.481  0.846  0.225  1.0
  O  O20  1  0.842  0.981  0.231  1.0
  O  O21  1  0.347  0.482  0.232  1.0
  F  F22  1  0.642  0.006  0.740  1.0
  F  F23  1  0.994  0.358  0.260  1.0
[/CIF]
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The crystal structure described by Mn4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are seven 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(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_Mn4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   7.399
_cell_length_c   4.461
_cell_angle_alpha   89.890
_cell_angle_beta   89.890
_cell_angle_gamma   95.336
_symmetry_Int_Tables_number   1
_cell_volume   243.190
_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  0.950  0.563  0.523  1.0
  Mn  Mn1  1  0.050  0.950  0.500  1.0
  Mn  Mn2  1  0.437  0.050  0.477  1.0
  Mn  Mn3  1  0.554  0.446  0.500  1.0
  Mn  Mn4  1  0.210  0.301  0.986  1.0
  Mn  Mn5  1  0.303  0.697  0.000  1.0
  Mn  Mn6  1  0.699  0.790  0.014  1.0
  Mn  Mn7  1  0.801  0.199  0.000  1.0
  O  O8  1  0.019  0.158  0.769  1.0
  O  O9  1  0.154  0.519  0.775  1.0
  O  O10  1  0.518  0.653  0.768  1.0
  O  O11  1  0.265  0.906  0.728  1.0
  O  O12  1  0.408  0.263  0.724  1.0
  O  O13  1  0.905  0.770  0.741  1.0
  O  O14  1  0.767  0.408  0.735  1.0
  O  O15  1  0.230  0.095  0.259  1.0
  O  O16  1  0.737  0.592  0.276  1.0
  O  O17  1  0.094  0.735  0.272  1.0
  O  O18  1  0.592  0.233  0.265  1.0
  O  O19  1  0.481  0.846  0.225  1.0
  O  O20  1  0.842  0.981  0.231  1.0
  O  O21  1  0.347  0.482  0.232  1.0
  F  F22  1  0.642  0.006  0.740  1.0
  F  F23  1  0.994  0.358  0.260  1.0
[/CIF]
.