The compound described by Mn3OF5 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 F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with three equivalent Mn(2)O2F4 octahedra, corners with five equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the second Mn site, Mn(2) 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(4)O2F4 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. In the third Mn site, Mn(3) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(4)O2F4 octahedra, corners with five equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with six equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.898
_cell_length_b   5.898
_cell_length_c   7.354
_cell_angle_alpha   74.128
_cell_angle_beta   74.128
_cell_angle_gamma   73.158
_symmetry_Int_Tables_number   1
_cell_volume   230.175
_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  0.337  0.337  0.167  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.312  0.312  0.653  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.663  0.663  0.833  1.0
  Mn  Mn5  1  0.688  0.688  0.347  1.0
  O  O6  1  0.918  0.918  0.286  1.0
  O  O7  1  0.082  0.082  0.714  1.0
  F  F8  1  0.298  0.702  0.000  1.0
  F  F9  1  0.638  0.021  0.652  1.0
  F  F10  1  0.546  0.546  0.642  1.0
  F  F11  1  0.228  0.228  0.964  1.0
  F  F12  1  0.772  0.772  0.036  1.0
  F  F13  1  0.454  0.454  0.358  1.0
  F  F14  1  0.021  0.638  0.652  1.0
  F  F15  1  0.702  0.298  0.000  1.0
  F  F16  1  0.362  0.979  0.348  1.0
  F  F17  1  0.979  0.362  0.348  1.0
[/CIF]
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The compound described by Mn3OF5 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 F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with three equivalent Mn(2)O2F4 octahedra, corners with five equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the second Mn site, Mn(2) 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(4)O2F4 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. In the third Mn site, Mn(3) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(4)O2F4 octahedra, corners with five equivalent Mn(1)F6 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with six equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.898
_cell_length_b   5.898
_cell_length_c   7.354
_cell_angle_alpha   74.128
_cell_angle_beta   74.128
_cell_angle_gamma   73.158
_symmetry_Int_Tables_number   1
_cell_volume   230.175
_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  0.337  0.337  0.167  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.312  0.312  0.653  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.663  0.663  0.833  1.0
  Mn  Mn5  1  0.688  0.688  0.347  1.0
  O  O6  1  0.918  0.918  0.286  1.0
  O  O7  1  0.082  0.082  0.714  1.0
  F  F8  1  0.298  0.702  0.000  1.0
  F  F9  1  0.638  0.021  0.652  1.0
  F  F10  1  0.546  0.546  0.642  1.0
  F  F11  1  0.228  0.228  0.964  1.0
  F  F12  1  0.772  0.772  0.036  1.0
  F  F13  1  0.454  0.454  0.358  1.0
  F  F14  1  0.021  0.638  0.652  1.0
  F  F15  1  0.702  0.298  0.000  1.0
  F  F16  1  0.362  0.979  0.348  1.0
  F  F17  1  0.979  0.362  0.348  1.0
[/CIF]
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