The structure 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 O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Mn site, Mn(2) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), 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(1)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded in a trigonal planar geometry to one Mn(1), 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(4) 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(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.876
_cell_length_b   4.876
_cell_length_c   9.788
_cell_angle_alpha   89.599
_cell_angle_beta   89.599
_cell_angle_gamma   91.840
_symmetry_Int_Tables_number   1
_cell_volume   232.531
_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  0.032  0.032  0.663  1.0
  Mn  Mn1  1  0.968  0.968  0.337  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.496  0.496  0.823  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.504  0.504  0.177  1.0
  O  O6  1  0.674  0.674  0.344  1.0
  O  O7  1  0.326  0.326  0.656  1.0
  F  F8  1  0.797  0.203  0.500  1.0
  F  F9  1  0.793  0.186  0.168  1.0
  F  F10  1  0.814  0.207  0.832  1.0
  F  F11  1  0.720  0.720  0.661  1.0
  F  F12  1  0.689  0.689  0.993  1.0
  F  F13  1  0.280  0.280  0.339  1.0
  F  F14  1  0.311  0.311  0.007  1.0
  F  F15  1  0.203  0.797  0.500  1.0
  F  F16  1  0.186  0.793  0.168  1.0
  F  F17  1  0.207  0.814  0.832  1.0
[/CIF]
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The structure 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 O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Mn site, Mn(2) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), 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(1)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded in a trigonal planar geometry to one Mn(1), 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(4) 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(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.876
_cell_length_b   4.876
_cell_length_c   9.788
_cell_angle_alpha   89.599
_cell_angle_beta   89.599
_cell_angle_gamma   91.840
_symmetry_Int_Tables_number   1
_cell_volume   232.531
_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  0.032  0.032  0.663  1.0
  Mn  Mn1  1  0.968  0.968  0.337  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.496  0.496  0.823  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.504  0.504  0.177  1.0
  O  O6  1  0.674  0.674  0.344  1.0
  O  O7  1  0.326  0.326  0.656  1.0
  F  F8  1  0.797  0.203  0.500  1.0
  F  F9  1  0.793  0.186  0.168  1.0
  F  F10  1  0.814  0.207  0.832  1.0
  F  F11  1  0.720  0.720  0.661  1.0
  F  F12  1  0.689  0.689  0.993  1.0
  F  F13  1  0.280  0.280  0.339  1.0
  F  F14  1  0.311  0.311  0.007  1.0
  F  F15  1  0.203  0.797  0.500  1.0
  F  F16  1  0.186  0.793  0.168  1.0
  F  F17  1  0.207  0.814  0.832  1.0
[/CIF]
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