The material structure described by Mn2O3F 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(1), four equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with eight equivalent Mn(4)O4F2 octahedra and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Mn site, Mn(3) is bonded to four equivalent O(4) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(4)O4F2 octahedra and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(4) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   9.676
_cell_length_c   6.047
_cell_angle_alpha   71.792
_cell_angle_beta   90.000
_cell_angle_gamma   87.863
_symmetry_Int_Tables_number   1
_cell_volume   254.735
_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  0.475  0.237  0.631  1.0
  Mn  Mn1  1  0.525  0.263  0.119  1.0
  Mn  Mn2  1  0.500  0.750  0.375  1.0
  Mn  Mn3  1  0.500  0.750  0.875  1.0
  Mn  Mn4  1  0.001  0.001  0.495  1.0
  Mn  Mn5  1  0.999  0.499  0.746  1.0
  Mn  Mn6  1  0.001  0.001  0.004  1.0
  Mn  Mn7  1  0.999  0.499  0.255  1.0
  O  O8  1  0.811  0.407  0.046  1.0
  O  O9  1  0.811  0.906  0.297  1.0
  O  O10  1  0.693  0.155  0.923  1.0
  O  O11  1  0.693  0.155  0.422  1.0
  O  O12  1  0.692  0.654  0.674  1.0
  O  O13  1  0.692  0.654  0.172  1.0
  O  O14  1  0.307  0.345  0.827  1.0
  O  O15  1  0.308  0.846  0.578  1.0
  O  O16  1  0.308  0.846  0.076  1.0
  O  O17  1  0.307  0.345  0.328  1.0
  O  O18  1  0.189  0.594  0.453  1.0
  O  O19  1  0.189  0.093  0.704  1.0
  F  F20  1  0.778  0.388  0.556  1.0
  F  F21  1  0.786  0.893  0.803  1.0
  F  F22  1  0.214  0.607  0.947  1.0
  F  F23  1  0.222  0.112  0.194  1.0
[/CIF]
.
The material structure described by Mn2O3F 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(1), four equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with eight equivalent Mn(4)O4F2 octahedra and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Mn site, Mn(3) is bonded to four equivalent O(4) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(4)O4F2 octahedra and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(4) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   9.676
_cell_length_c   6.047
_cell_angle_alpha   71.792
_cell_angle_beta   90.000
_cell_angle_gamma   87.863
_symmetry_Int_Tables_number   1
_cell_volume   254.735
_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  0.475  0.237  0.631  1.0
  Mn  Mn1  1  0.525  0.263  0.119  1.0
  Mn  Mn2  1  0.500  0.750  0.375  1.0
  Mn  Mn3  1  0.500  0.750  0.875  1.0
  Mn  Mn4  1  0.001  0.001  0.495  1.0
  Mn  Mn5  1  0.999  0.499  0.746  1.0
  Mn  Mn6  1  0.001  0.001  0.004  1.0
  Mn  Mn7  1  0.999  0.499  0.255  1.0
  O  O8  1  0.811  0.407  0.046  1.0
  O  O9  1  0.811  0.906  0.297  1.0
  O  O10  1  0.693  0.155  0.923  1.0
  O  O11  1  0.693  0.155  0.422  1.0
  O  O12  1  0.692  0.654  0.674  1.0
  O  O13  1  0.692  0.654  0.172  1.0
  O  O14  1  0.307  0.345  0.827  1.0
  O  O15  1  0.308  0.846  0.578  1.0
  O  O16  1  0.308  0.846  0.076  1.0
  O  O17  1  0.307  0.345  0.328  1.0
  O  O18  1  0.189  0.594  0.453  1.0
  O  O19  1  0.189  0.093  0.704  1.0
  F  F20  1  0.778  0.388  0.556  1.0
  F  F21  1  0.786  0.893  0.803  1.0
  F  F22  1  0.214  0.607  0.947  1.0
  F  F23  1  0.222  0.112  0.194  1.0
[/CIF]
.