The material described by Mn3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(6), one O(8), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(7), one O(8), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted 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 trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 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(2), 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(1), one Mn(5), and one Mn(6) atom. is represented by the CIF card [CIF]
data_Mn3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.672
_cell_length_b   9.026
_cell_length_c   4.672
_cell_angle_alpha   90.849
_cell_angle_beta   88.830
_cell_angle_gamma   90.719
_symmetry_Int_Tables_number   1
_cell_volume   196.933
_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  0.004  0.652  0.005  1.0
  Mn  Mn1  1  0.502  0.149  0.503  1.0
  Mn  Mn2  1  0.508  0.514  0.508  1.0
  Mn  Mn3  1  0.005  0.334  0.004  1.0
  Mn  Mn4  1  0.491  0.833  0.491  1.0
  Mn  Mn5  1  0.998  0.016  0.999  1.0
  O  O6  1  0.804  0.170  0.203  1.0
  O  O7  1  0.809  0.500  0.191  1.0
  O  O8  1  0.315  0.000  0.315  1.0
  O  O9  1  0.288  0.670  0.289  1.0
  O  O10  1  0.680  0.999  0.680  1.0
  O  O11  1  0.694  0.669  0.695  1.0
  O  O12  1  0.204  0.170  0.803  1.0
  O  O13  1  0.191  0.500  0.809  1.0
  F  F14  1  0.815  0.834  0.176  1.0
  F  F15  1  0.328  0.332  0.327  1.0
  F  F16  1  0.688  0.323  0.688  1.0
  F  F17  1  0.174  0.835  0.816  1.0
[/CIF]
.
The material described by Mn3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(6), one O(8), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(7), one O(8), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted 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 trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 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(2), 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(1), one Mn(5), and one Mn(6) atom. is represented by the CIF card [CIF]
data_Mn3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.672
_cell_length_b   9.026
_cell_length_c   4.672
_cell_angle_alpha   90.849
_cell_angle_beta   88.830
_cell_angle_gamma   90.719
_symmetry_Int_Tables_number   1
_cell_volume   196.933
_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  0.004  0.652  0.005  1.0
  Mn  Mn1  1  0.502  0.149  0.503  1.0
  Mn  Mn2  1  0.508  0.514  0.508  1.0
  Mn  Mn3  1  0.005  0.334  0.004  1.0
  Mn  Mn4  1  0.491  0.833  0.491  1.0
  Mn  Mn5  1  0.998  0.016  0.999  1.0
  O  O6  1  0.804  0.170  0.203  1.0
  O  O7  1  0.809  0.500  0.191  1.0
  O  O8  1  0.315  0.000  0.315  1.0
  O  O9  1  0.288  0.670  0.289  1.0
  O  O10  1  0.680  0.999  0.680  1.0
  O  O11  1  0.694  0.669  0.695  1.0
  O  O12  1  0.204  0.170  0.803  1.0
  O  O13  1  0.191  0.500  0.809  1.0
  F  F14  1  0.815  0.834  0.176  1.0
  F  F15  1  0.328  0.332  0.327  1.0
  F  F16  1  0.688  0.323  0.688  1.0
  F  F17  1  0.174  0.835  0.816  1.0
[/CIF]
.