The material described by Mn3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(4)O2F4 octahedra, corners with five equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  an edgeedge with one Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(3)O2F4 octahedra, corners with five equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with six equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), two equivalent F(2), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with six equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), 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(2) 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(4) atom. is represented by the CIF card [CIF]
data_Mn3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   7.839
_cell_angle_alpha   69.854
_cell_angle_beta   69.854
_cell_angle_gamma   68.108
_symmetry_Int_Tables_number   1
_cell_volume   221.223
_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  0.669  0.645  0.842  1.0
  Mn  Mn1  1  0.310  0.349  0.671  1.0
  Mn  Mn2  1  0.651  0.690  0.329  1.0
  Mn  Mn3  1  0.355  0.331  0.158  1.0
  Mn  Mn4  1  0.016  0.984  0.500  1.0
  Mn  Mn5  1  0.012  0.988  0.000  1.0
  O  O6  1  0.366  0.986  0.324  1.0
  O  O7  1  0.014  0.634  0.676  1.0
  O  O8  1  0.708  0.292  0.000  1.0
  O  O9  1  0.315  0.685  0.000  1.0
  F  F10  1  0.621  0.033  0.673  1.0
  F  F11  1  0.967  0.379  0.327  1.0
  F  F12  1  0.898  0.898  0.299  1.0
  F  F13  1  0.560  0.568  0.622  1.0
  F  F14  1  0.231  0.227  0.960  1.0
  F  F15  1  0.102  0.102  0.701  1.0
  F  F16  1  0.773  0.769  0.040  1.0
  F  F17  1  0.432  0.440  0.378  1.0
[/CIF]
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The material described by Mn3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(4)O2F4 octahedra, corners with five equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  an edgeedge with one Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with three equivalent Mn(3)O2F4 octahedra, corners with five equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with six equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), two equivalent F(2), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with six equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), 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(2) 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(4) atom. is represented by the CIF card [CIF]
data_Mn3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   7.839
_cell_angle_alpha   69.854
_cell_angle_beta   69.854
_cell_angle_gamma   68.108
_symmetry_Int_Tables_number   1
_cell_volume   221.223
_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  0.669  0.645  0.842  1.0
  Mn  Mn1  1  0.310  0.349  0.671  1.0
  Mn  Mn2  1  0.651  0.690  0.329  1.0
  Mn  Mn3  1  0.355  0.331  0.158  1.0
  Mn  Mn4  1  0.016  0.984  0.500  1.0
  Mn  Mn5  1  0.012  0.988  0.000  1.0
  O  O6  1  0.366  0.986  0.324  1.0
  O  O7  1  0.014  0.634  0.676  1.0
  O  O8  1  0.708  0.292  0.000  1.0
  O  O9  1  0.315  0.685  0.000  1.0
  F  F10  1  0.621  0.033  0.673  1.0
  F  F11  1  0.967  0.379  0.327  1.0
  F  F12  1  0.898  0.898  0.299  1.0
  F  F13  1  0.560  0.568  0.622  1.0
  F  F14  1  0.231  0.227  0.960  1.0
  F  F15  1  0.102  0.102  0.701  1.0
  F  F16  1  0.773  0.769  0.040  1.0
  F  F17  1  0.432  0.440  0.378  1.0
[/CIF]
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