The structure described by Mn3(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.777
_cell_length_b   4.673
_cell_length_c   9.787
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.492
_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  0.039  0.002  0.992  1.0
  Mn  Mn1  1  0.039  0.002  0.341  1.0
  Mn  Mn2  1  0.997  0.970  0.667  1.0
  Mn  Mn3  1  0.461  0.502  0.841  1.0
  Mn  Mn4  1  0.503  0.470  0.167  1.0
  Mn  Mn5  1  0.461  0.502  0.492  1.0
  O  O6  1  0.189  0.805  0.496  1.0
  O  O7  1  0.190  0.805  0.837  1.0
  O  O8  1  0.311  0.305  0.996  1.0
  O  O9  1  0.310  0.305  0.337  1.0
  F  F10  1  0.227  0.809  0.167  1.0
  F  F11  1  0.273  0.309  0.667  1.0
  F  F12  1  0.726  0.711  0.006  1.0
  F  F13  1  0.726  0.711  0.328  1.0
  F  F14  1  0.654  0.685  0.667  1.0
  F  F15  1  0.846  0.185  0.167  1.0
  F  F16  1  0.774  0.211  0.506  1.0
  F  F17  1  0.774  0.211  0.828  1.0
[/CIF]
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The structure described by Mn3(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.777
_cell_length_b   4.673
_cell_length_c   9.787
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.492
_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  0.039  0.002  0.992  1.0
  Mn  Mn1  1  0.039  0.002  0.341  1.0
  Mn  Mn2  1  0.997  0.970  0.667  1.0
  Mn  Mn3  1  0.461  0.502  0.841  1.0
  Mn  Mn4  1  0.503  0.470  0.167  1.0
  Mn  Mn5  1  0.461  0.502  0.492  1.0
  O  O6  1  0.189  0.805  0.496  1.0
  O  O7  1  0.190  0.805  0.837  1.0
  O  O8  1  0.311  0.305  0.996  1.0
  O  O9  1  0.310  0.305  0.337  1.0
  F  F10  1  0.227  0.809  0.167  1.0
  F  F11  1  0.273  0.309  0.667  1.0
  F  F12  1  0.726  0.711  0.006  1.0
  F  F13  1  0.726  0.711  0.328  1.0
  F  F14  1  0.654  0.685  0.667  1.0
  F  F15  1  0.846  0.185  0.167  1.0
  F  F16  1  0.774  0.211  0.506  1.0
  F  F17  1  0.774  0.211  0.828  1.0
[/CIF]
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