The structure described by Mn5(OF3)2 crystallizes in the monoclinic Cm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(5)O4F square pyramids, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(1)OF5 octahedra, corners with two equivalent Mn(5)O4F square pyramids, edges with two equivalent Mn(2)O2F4 octahedra, edges with two equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-51°. In the third Mn site, Mn(3) is bonded to one O(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(1)OF5 octahedra, edges with two equivalent Mn(2)O2F4 octahedra, edges with two equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(5)O4F square pyramids. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), one F(1), one F(5), and two equivalent F(6) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(5)O4F square pyramids, edges with two equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(1)OF5 octahedra, and  a faceface with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(2), and one F(5) atom to form MnO4F square pyramids that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra, edges with two equivalent Mn(3)OF5 octahedra, edges with two equivalent Mn(5)O4F square pyramids, and  a faceface with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 10-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(5) atoms to form a mixture of edge and corner-sharing OMn5 square pyramids. In the second O site, O(2) is bonded to one Mn(1), two equivalent Mn(4), and two equivalent Mn(5) atoms to form a mixture of distorted edge and corner-sharing OMn5 trigonal bipyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted 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 non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Mn(4), one Mn(5), and two equivalent Mn(3) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Mn5(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.938
_cell_length_b   7.938
_cell_length_c   10.023
_cell_angle_alpha   51.889
_cell_angle_beta   51.889
_cell_angle_gamma   23.340
_symmetry_Int_Tables_number   1
_cell_volume   194.262
_cell_formula_units_Z   1
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  0.654  0.654  0.173  1.0
  Mn  Mn1  1  0.143  0.143  0.541  1.0
  Mn  Mn2  1  0.858  0.858  0.451  1.0
  Mn  Mn3  1  0.349  0.349  0.826  1.0
  Mn  Mn4  1  0.171  0.171  0.814  1.0
  O  O5  1  0.673  0.673  0.662  1.0
  O  O6  1  0.718  0.718  0.909  1.0
  F  F7  1  0.272  0.272  0.090  1.0
  F  F8  1  0.035  0.035  0.266  1.0
  F  F9  1  0.630  0.630  0.412  1.0
  F  F10  1  0.330  0.330  0.346  1.0
  F  F11  1  0.367  0.367  0.590  1.0
  F  F12  1  0.963  0.963  0.739  1.0
[/CIF]
.
The structure described by Mn5(OF3)2 crystallizes in the monoclinic Cm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(5)O4F square pyramids, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(1)OF5 octahedra, corners with two equivalent Mn(5)O4F square pyramids, edges with two equivalent Mn(2)O2F4 octahedra, edges with two equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-51°. In the third Mn site, Mn(3) is bonded to one O(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(1)OF5 octahedra, edges with two equivalent Mn(2)O2F4 octahedra, edges with two equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(5)O4F square pyramids. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), one F(1), one F(5), and two equivalent F(6) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(5)O4F square pyramids, edges with two equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(1)OF5 octahedra, and  a faceface with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), two equivalent O(2), and one F(5) atom to form MnO4F square pyramids that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra, edges with two equivalent Mn(3)OF5 octahedra, edges with two equivalent Mn(5)O4F square pyramids, and  a faceface with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 10-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(5) atoms to form a mixture of edge and corner-sharing OMn5 square pyramids. In the second O site, O(2) is bonded to one Mn(1), two equivalent Mn(4), and two equivalent Mn(5) atoms to form a mixture of distorted edge and corner-sharing OMn5 trigonal bipyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted 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 non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Mn(4), one Mn(5), and two equivalent Mn(3) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Mn5(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.938
_cell_length_b   7.938
_cell_length_c   10.023
_cell_angle_alpha   51.889
_cell_angle_beta   51.889
_cell_angle_gamma   23.340
_symmetry_Int_Tables_number   1
_cell_volume   194.262
_cell_formula_units_Z   1
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  0.654  0.654  0.173  1.0
  Mn  Mn1  1  0.143  0.143  0.541  1.0
  Mn  Mn2  1  0.858  0.858  0.451  1.0
  Mn  Mn3  1  0.349  0.349  0.826  1.0
  Mn  Mn4  1  0.171  0.171  0.814  1.0
  O  O5  1  0.673  0.673  0.662  1.0
  O  O6  1  0.718  0.718  0.909  1.0
  F  F7  1  0.272  0.272  0.090  1.0
  F  F8  1  0.035  0.035  0.266  1.0
  F  F9  1  0.630  0.630  0.412  1.0
  F  F10  1  0.330  0.330  0.346  1.0
  F  F11  1  0.367  0.367  0.590  1.0
  F  F12  1  0.963  0.963  0.739  1.0
[/CIF]
.