The material structure described by Mn3OF5 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(3)F6 octahedra, corners with six equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(3), one F(4), and two equivalent F(5) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra, corners with five equivalent Mn(4)OF5 octahedra,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the third Mn site, Mn(3) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Mn(4)OF5 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(1), one F(3), one F(5), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(3)F6 octahedra, corners with five equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(4) 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   5.856
_cell_length_b   5.874
_cell_length_c   7.725
_cell_angle_alpha   72.310
_cell_angle_beta   72.115
_cell_angle_gamma   70.605
_symmetry_Int_Tables_number   1
_cell_volume   232.437
_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  0.000  0.000  1.0
  Mn  Mn1  1  0.369  0.304  0.162  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.327  0.319  0.675  1.0
  Mn  Mn4  1  0.673  0.681  0.325  1.0
  Mn  Mn5  1  0.631  0.696  0.838  1.0
  O  O6  1  0.671  0.017  0.158  1.0
  O  O7  1  0.329  0.983  0.842  1.0
  F  F8  1  0.058  0.619  0.162  1.0
  F  F9  1  0.699  0.318  0.492  1.0
  F  F10  1  0.759  0.772  0.539  1.0
  F  F11  1  0.107  0.094  0.199  1.0
  F  F12  1  0.433  0.434  0.866  1.0
  F  F13  1  0.567  0.566  0.134  1.0
  F  F14  1  0.893  0.906  0.801  1.0
  F  F15  1  0.241  0.228  0.461  1.0
  F  F16  1  0.301  0.682  0.508  1.0
  F  F17  1  0.942  0.381  0.838  1.0
[/CIF]
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The material structure described by Mn3OF5 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(3)F6 octahedra, corners with six equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(3), one F(4), and two equivalent F(5) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra, corners with five equivalent Mn(4)OF5 octahedra,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the third Mn site, Mn(3) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Mn(4)OF5 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(1), one F(3), one F(5), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(3)F6 octahedra, corners with five equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(4) 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   5.856
_cell_length_b   5.874
_cell_length_c   7.725
_cell_angle_alpha   72.310
_cell_angle_beta   72.115
_cell_angle_gamma   70.605
_symmetry_Int_Tables_number   1
_cell_volume   232.437
_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  0.000  0.000  1.0
  Mn  Mn1  1  0.369  0.304  0.162  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.327  0.319  0.675  1.0
  Mn  Mn4  1  0.673  0.681  0.325  1.0
  Mn  Mn5  1  0.631  0.696  0.838  1.0
  O  O6  1  0.671  0.017  0.158  1.0
  O  O7  1  0.329  0.983  0.842  1.0
  F  F8  1  0.058  0.619  0.162  1.0
  F  F9  1  0.699  0.318  0.492  1.0
  F  F10  1  0.759  0.772  0.539  1.0
  F  F11  1  0.107  0.094  0.199  1.0
  F  F12  1  0.433  0.434  0.866  1.0
  F  F13  1  0.567  0.566  0.134  1.0
  F  F14  1  0.893  0.906  0.801  1.0
  F  F15  1  0.241  0.228  0.461  1.0
  F  F16  1  0.301  0.682  0.508  1.0
  F  F17  1  0.942  0.381  0.838  1.0
[/CIF]
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