The material structure described by Mn3OF5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(5), two equivalent F(2), and two equivalent F(4) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Mn site, Mn(2) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.237
_cell_length_b   4.923
_cell_length_c   14.706
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.311
_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  0.000  0.773  0.006  1.0
  Mn  Mn1  1  0.000  0.726  0.333  1.0
  Mn  Mn2  1  0.000  0.782  0.658  1.0
  Mn  Mn3  1  0.500  0.218  0.158  1.0
  Mn  Mn4  1  0.500  0.227  0.506  1.0
  Mn  Mn5  1  0.500  0.274  0.833  1.0
  O  O6  1  0.500  0.949  0.600  1.0
  O  O7  1  0.000  0.051  0.100  1.0
  F  F8  1  0.500  0.932  0.272  1.0
  F  F9  1  0.500  0.958  0.934  1.0
  F  F10  1  0.000  0.068  0.772  1.0
  F  F11  1  0.000  0.042  0.434  1.0
  F  F12  1  0.000  0.421  0.228  1.0
  F  F13  1  0.000  0.436  0.566  1.0
  F  F14  1  0.000  0.476  0.903  1.0
  F  F15  1  0.500  0.564  0.066  1.0
  F  F16  1  0.500  0.524  0.403  1.0
  F  F17  1  0.500  0.579  0.728  1.0
[/CIF]
.
The material structure described by Mn3OF5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(5), two equivalent F(2), and two equivalent F(4) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Mn site, Mn(2) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. O(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.237
_cell_length_b   4.923
_cell_length_c   14.706
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.311
_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  0.000  0.773  0.006  1.0
  Mn  Mn1  1  0.000  0.726  0.333  1.0
  Mn  Mn2  1  0.000  0.782  0.658  1.0
  Mn  Mn3  1  0.500  0.218  0.158  1.0
  Mn  Mn4  1  0.500  0.227  0.506  1.0
  Mn  Mn5  1  0.500  0.274  0.833  1.0
  O  O6  1  0.500  0.949  0.600  1.0
  O  O7  1  0.000  0.051  0.100  1.0
  F  F8  1  0.500  0.932  0.272  1.0
  F  F9  1  0.500  0.958  0.934  1.0
  F  F10  1  0.000  0.068  0.772  1.0
  F  F11  1  0.000  0.042  0.434  1.0
  F  F12  1  0.000  0.421  0.228  1.0
  F  F13  1  0.000  0.436  0.566  1.0
  F  F14  1  0.000  0.476  0.903  1.0
  F  F15  1  0.500  0.564  0.066  1.0
  F  F16  1  0.500  0.524  0.403  1.0
  F  F17  1  0.500  0.579  0.728  1.0
[/CIF]
.