The material described by Mn2O3F 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 one O(2), two equivalent O(1), two equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are three 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(1) atoms. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) 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 Crystallographic Information File (CIF) [CIF]
data_Mn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.592
_cell_length_b   5.524
_cell_length_c   10.182
_cell_angle_alpha   83.127
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.388
_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  0.522  0.745  0.761  1.0
  Mn  Mn1  1  0.478  0.255  0.239  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.978  0.745  0.261  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.022  0.255  0.739  1.0
  O  O8  1  0.797  0.483  0.176  1.0
  O  O9  1  0.806  0.723  0.428  1.0
  O  O10  1  0.801  0.991  0.671  1.0
  O  O11  1  0.694  0.723  0.928  1.0
  O  O12  1  0.703  0.483  0.676  1.0
  O  O13  1  0.699  0.991  0.171  1.0
  O  O14  1  0.297  0.517  0.324  1.0
  O  O15  1  0.301  0.009  0.829  1.0
  O  O16  1  0.306  0.277  0.072  1.0
  O  O17  1  0.194  0.277  0.572  1.0
  O  O18  1  0.199  0.009  0.329  1.0
  O  O19  1  0.203  0.517  0.824  1.0
  F  F20  1  0.817  0.219  0.910  1.0
  F  F21  1  0.683  0.219  0.410  1.0
  F  F22  1  0.317  0.781  0.590  1.0
  F  F23  1  0.183  0.781  0.090  1.0
[/CIF]
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The material described by Mn2O3F 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 one O(2), two equivalent O(1), two equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are three 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(1) atoms. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) 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 Crystallographic Information File (CIF) [CIF]
data_Mn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.592
_cell_length_b   5.524
_cell_length_c   10.182
_cell_angle_alpha   83.127
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.388
_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  0.522  0.745  0.761  1.0
  Mn  Mn1  1  0.478  0.255  0.239  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.978  0.745  0.261  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.022  0.255  0.739  1.0
  O  O8  1  0.797  0.483  0.176  1.0
  O  O9  1  0.806  0.723  0.428  1.0
  O  O10  1  0.801  0.991  0.671  1.0
  O  O11  1  0.694  0.723  0.928  1.0
  O  O12  1  0.703  0.483  0.676  1.0
  O  O13  1  0.699  0.991  0.171  1.0
  O  O14  1  0.297  0.517  0.324  1.0
  O  O15  1  0.301  0.009  0.829  1.0
  O  O16  1  0.306  0.277  0.072  1.0
  O  O17  1  0.194  0.277  0.572  1.0
  O  O18  1  0.199  0.009  0.329  1.0
  O  O19  1  0.203  0.517  0.824  1.0
  F  F20  1  0.817  0.219  0.910  1.0
  F  F21  1  0.683  0.219  0.410  1.0
  F  F22  1  0.317  0.781  0.590  1.0
  F  F23  1  0.183  0.781  0.090  1.0
[/CIF]
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