The compound described by Mn3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.613
_cell_length_b   4.627
_cell_length_c   10.273
_cell_angle_alpha   63.436
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.148
_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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.520  0.690  0.840  1.0
  Mn  Mn2  1  0.480  0.310  0.160  1.0
  Mn  Mn3  1  0.980  0.690  0.340  1.0
  Mn  Mn4  1  0.020  0.310  0.660  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.692  0.309  0.999  1.0
  O  O7  1  0.677  0.980  0.330  1.0
  O  O8  1  0.192  0.691  0.501  1.0
  O  O9  1  0.177  0.020  0.170  1.0
  O  O10  1  0.808  0.309  0.499  1.0
  O  O11  1  0.823  0.980  0.830  1.0
  O  O12  1  0.323  0.020  0.670  1.0
  O  O13  1  0.308  0.691  0.001  1.0
  F  F14  1  0.721  0.618  0.679  1.0
  F  F15  1  0.221  0.382  0.821  1.0
  F  F16  1  0.779  0.618  0.179  1.0
  F  F17  1  0.279  0.382  0.321  1.0
[/CIF]
.
The compound described by Mn3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.613
_cell_length_b   4.627
_cell_length_c   10.273
_cell_angle_alpha   63.436
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.148
_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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.520  0.690  0.840  1.0
  Mn  Mn2  1  0.480  0.310  0.160  1.0
  Mn  Mn3  1  0.980  0.690  0.340  1.0
  Mn  Mn4  1  0.020  0.310  0.660  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.692  0.309  0.999  1.0
  O  O7  1  0.677  0.980  0.330  1.0
  O  O8  1  0.192  0.691  0.501  1.0
  O  O9  1  0.177  0.020  0.170  1.0
  O  O10  1  0.808  0.309  0.499  1.0
  O  O11  1  0.823  0.980  0.830  1.0
  O  O12  1  0.323  0.020  0.670  1.0
  O  O13  1  0.308  0.691  0.001  1.0
  F  F14  1  0.721  0.618  0.679  1.0
  F  F15  1  0.221  0.382  0.821  1.0
  F  F16  1  0.779  0.618  0.179  1.0
  F  F17  1  0.279  0.382  0.321  1.0
[/CIF]
.