The crystal structure described by Mn5O3F5 crystallizes in the monoclinic Cm space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), one F(7), and two equivalent F(5) atoms to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(4)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and edges with four equivalent Mn(7)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(2), one F(8), and two equivalent F(6) atoms to form MnO3F3 octahedra that share  a cornercorner with one Mn(4)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and edges with four equivalent Mn(8)O2F4 octahedra. In the third Mn site, Mn(3) is bonded to one O(3), two equivalent O(2), and one F(2) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O2F4 octahedra, and corners with four equivalent Mn(8)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. In the fourth Mn site, Mn(4) is bonded to one O(4), two equivalent O(1), and one F(1) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mn(8)O2F4 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with three equivalent Mn(5)O2F4 octahedra, and corners with four equivalent Mn(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(6) atoms to form distorted MnO2F4 octahedra that share corners with three equivalent Mn(4)O3F tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(8)O2F4 octahedra. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), one F(2), one F(3), and two equivalent F(5) atoms to form distorted MnO2F4 octahedra that share corners with three equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(8)O2F4 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(7) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(4)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(2), one O(4), one F(2), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(4)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, edges with two equivalent Mn(8)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), and two equivalent Mn(7) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), and two equivalent Mn(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(5), and two equivalent Mn(7) atoms. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(6), and two equivalent Mn(8) atoms. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(6) and two equivalent Mn(7) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5) and two equivalent Mn(8) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(6), and one Mn(7) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(5), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(7) atoms. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(8) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5O3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   6.369
_cell_length_c   6.404
_cell_angle_alpha   119.820
_cell_angle_beta   118.584
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.608
_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
  F  F0  1  0.131  0.885  0.770  1.0
  F  F1  1  0.612  0.381  0.762  1.0
  F  F2  1  0.641  0.812  0.214  1.0
  F  F3  1  0.197  0.403  0.807  1.0
  F  F4  1  0.641  0.402  0.214  1.0
  Mn  Mn5  1  0.382  0.636  0.271  1.0
  Mn  Mn6  1  0.964  0.014  0.028  1.0
  Mn  Mn7  1  0.883  0.612  0.225  1.0
  Mn  Mn8  1  0.371  0.619  0.728  1.0
  Mn  Mn9  1  0.371  0.109  0.728  1.0
  O  O10  1  0.109  0.852  0.267  1.0
  O  O11  1  0.586  0.863  0.725  1.0
  O  O12  1  0.109  0.415  0.267  1.0
[/CIF]
.
The crystal structure described by Mn5O3F5 crystallizes in the monoclinic Cm space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), one F(7), and two equivalent F(5) atoms to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(4)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and edges with four equivalent Mn(7)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(2), one F(8), and two equivalent F(6) atoms to form MnO3F3 octahedra that share  a cornercorner with one Mn(4)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and edges with four equivalent Mn(8)O2F4 octahedra. In the third Mn site, Mn(3) is bonded to one O(3), two equivalent O(2), and one F(2) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O2F4 octahedra, and corners with four equivalent Mn(8)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. In the fourth Mn site, Mn(4) is bonded to one O(4), two equivalent O(1), and one F(1) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mn(8)O2F4 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with three equivalent Mn(5)O2F4 octahedra, and corners with four equivalent Mn(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(6) atoms to form distorted MnO2F4 octahedra that share corners with three equivalent Mn(4)O3F tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(8)O2F4 octahedra. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), one F(2), one F(3), and two equivalent F(5) atoms to form distorted MnO2F4 octahedra that share corners with three equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(8)O2F4 octahedra. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(7) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(4)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, edges with two equivalent Mn(7)O2F4 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(2), one O(4), one F(2), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(4)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, edges with two equivalent Mn(8)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), and two equivalent Mn(7) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), and two equivalent Mn(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(5), and two equivalent Mn(7) atoms. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(6), and two equivalent Mn(8) atoms. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(6) and two equivalent Mn(7) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5) and two equivalent Mn(8) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(6), and one Mn(7) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(5), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(7) atoms. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(8) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5O3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.322
_cell_length_b   6.369
_cell_length_c   6.404
_cell_angle_alpha   119.820
_cell_angle_beta   118.584
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.608
_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
  F  F0  1  0.131  0.885  0.770  1.0
  F  F1  1  0.612  0.381  0.762  1.0
  F  F2  1  0.641  0.812  0.214  1.0
  F  F3  1  0.197  0.403  0.807  1.0
  F  F4  1  0.641  0.402  0.214  1.0
  Mn  Mn5  1  0.382  0.636  0.271  1.0
  Mn  Mn6  1  0.964  0.014  0.028  1.0
  Mn  Mn7  1  0.883  0.612  0.225  1.0
  Mn  Mn8  1  0.371  0.619  0.728  1.0
  Mn  Mn9  1  0.371  0.109  0.728  1.0
  O  O10  1  0.109  0.852  0.267  1.0
  O  O11  1  0.586  0.863  0.725  1.0
  O  O12  1  0.109  0.415  0.267  1.0
[/CIF]
.