The material structure described by Mn6O5F7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(10), one O(6), one F(1), one F(10), and one F(3) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(4), one O(9), one F(10), and one F(4) atom to form distorted edge-sharing MnO4F2 octahedra. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(9), one F(4), and one F(9) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(5), one F(12), one F(2), one F(5), and one F(7) atom to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(8), one F(11), one F(12), one F(2), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra and corners with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(6), one O(7), one F(11), one F(13), and one F(3) atom to form distorted corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(4), one O(9), one F(1), one F(10), and one F(14) atom to form edge-sharing MnO3F3 octahedra. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(6), one F(1), one F(13), and one F(6) atom. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(5), one O(7), one O(8), one F(11), one F(2), and one F(8) atom. In the tenth Mn site, Mn(10) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(8), one F(2), one F(5), and one F(9) atom. In the eleventh Mn site, Mn(11) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(9), one F(14), one F(4), one F(5), and one F(7) atom. In the twelfth Mn site, Mn(12) is bonded in a 7-coordinate geometry to one O(3), one O(6), one O(7), one F(13), one F(3), one F(6), and one F(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(11), one Mn(2), one Mn(3), and one Mn(7) atom. In the second O site, O(2) is bonded to one Mn(10), one Mn(11), one Mn(3), and one Mn(4) atom to form distorted corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a tetrahedral geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the ninth O site, O(9) is bonded to one Mn(11), one Mn(2), one Mn(3), and one Mn(7) atom to form corner-sharing OMn4 tetrahedra. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a 1-coordinate geometry to one Mn(12) and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Mn(11) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Mn(10) and one Mn(3) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Mn(4) and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Mn(11) and one Mn(7) atom. is represented by the CIF file [CIF]
data_Mn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.360
_cell_length_c   14.864
_cell_angle_alpha   93.383
_cell_angle_beta   92.502
_cell_angle_gamma   93.748
_symmetry_Int_Tables_number   1
_cell_volume   420.245
_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  0.099  0.014  0.002  1.0
  Mn  Mn1  1  0.555  0.049  0.165  1.0
  Mn  Mn2  1  0.928  0.011  0.325  1.0
  Mn  Mn3  1  0.390  0.107  0.491  1.0
  Mn  Mn4  1  0.985  0.889  0.670  1.0
  Mn  Mn5  1  0.494  0.040  0.829  1.0
  Mn  Mn6  1  0.881  0.539  0.170  1.0
  Mn  Mn7  1  0.450  0.545  0.004  1.0
  Mn  Mn8  1  0.526  0.449  0.669  1.0
  Mn  Mn9  1  0.983  0.466  0.503  1.0
  Mn  Mn10  1  0.450  0.493  0.320  1.0
  Mn  Mn11  1  0.024  0.373  0.834  1.0
  O  O12  1  0.759  0.253  0.256  1.0
  O  O13  1  0.141  0.261  0.408  1.0
  O  O14  1  0.179  0.136  0.751  1.0
  O  O15  1  0.593  0.378  0.101  1.0
  O  O16  1  0.272  0.360  0.570  1.0
  O  O17  1  0.300  0.245  0.929  1.0
  O  O18  1  0.692  0.320  0.772  1.0
  O  O19  1  0.806  0.614  0.601  1.0
  O  O20  1  0.693  0.771  0.243  1.0
  O  O21  1  0.360  0.859  0.069  1.0
  F  F22  1  0.087  0.360  0.086  1.0
  F  F23  1  0.702  0.117  0.585  1.0
  F  F24  1  0.815  0.074  0.921  1.0
  F  F25  1  0.261  0.148  0.244  1.0
  F  F26  1  0.655  0.364  0.433  1.0
  F  F27  1  0.878  0.578  0.929  1.0
  F  F28  1  0.489  0.855  0.408  1.0
  F  F29  1  0.227  0.627  0.735  1.0
  F  F30  1  0.986  0.768  0.414  1.0
  F  F31  1  0.865  0.868  0.086  1.0
  F  F32  1  0.721  0.818  0.754  1.0
  F  F33  1  0.234  0.861  0.578  1.0
  F  F34  1  0.353  0.733  0.900  1.0
  F  F35  1  0.167  0.658  0.247  1.0
[/CIF]
.
The material structure described by Mn6O5F7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(10), one O(6), one F(1), one F(10), and one F(3) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(4), one O(9), one F(10), and one F(4) atom to form distorted edge-sharing MnO4F2 octahedra. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(9), one F(4), and one F(9) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(5), one F(12), one F(2), one F(5), and one F(7) atom to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(8), one F(11), one F(12), one F(2), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra and corners with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(6), one O(7), one F(11), one F(13), and one F(3) atom to form distorted corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(4), one O(9), one F(1), one F(10), and one F(14) atom to form edge-sharing MnO3F3 octahedra. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(6), one F(1), one F(13), and one F(6) atom. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(5), one O(7), one O(8), one F(11), one F(2), and one F(8) atom. In the tenth Mn site, Mn(10) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(8), one F(2), one F(5), and one F(9) atom. In the eleventh Mn site, Mn(11) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(9), one F(14), one F(4), one F(5), and one F(7) atom. In the twelfth Mn site, Mn(12) is bonded in a 7-coordinate geometry to one O(3), one O(6), one O(7), one F(13), one F(3), one F(6), and one F(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(11), one Mn(2), one Mn(3), and one Mn(7) atom. In the second O site, O(2) is bonded to one Mn(10), one Mn(11), one Mn(3), and one Mn(4) atom to form distorted corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a tetrahedral geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the ninth O site, O(9) is bonded to one Mn(11), one Mn(2), one Mn(3), and one Mn(7) atom to form corner-sharing OMn4 tetrahedra. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a 1-coordinate geometry to one Mn(12) and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Mn(11) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Mn(10) and one Mn(3) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Mn(4) and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Mn(11) and one Mn(7) atom. is represented by the CIF file [CIF]
data_Mn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.360
_cell_length_c   14.864
_cell_angle_alpha   93.383
_cell_angle_beta   92.502
_cell_angle_gamma   93.748
_symmetry_Int_Tables_number   1
_cell_volume   420.245
_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  0.099  0.014  0.002  1.0
  Mn  Mn1  1  0.555  0.049  0.165  1.0
  Mn  Mn2  1  0.928  0.011  0.325  1.0
  Mn  Mn3  1  0.390  0.107  0.491  1.0
  Mn  Mn4  1  0.985  0.889  0.670  1.0
  Mn  Mn5  1  0.494  0.040  0.829  1.0
  Mn  Mn6  1  0.881  0.539  0.170  1.0
  Mn  Mn7  1  0.450  0.545  0.004  1.0
  Mn  Mn8  1  0.526  0.449  0.669  1.0
  Mn  Mn9  1  0.983  0.466  0.503  1.0
  Mn  Mn10  1  0.450  0.493  0.320  1.0
  Mn  Mn11  1  0.024  0.373  0.834  1.0
  O  O12  1  0.759  0.253  0.256  1.0
  O  O13  1  0.141  0.261  0.408  1.0
  O  O14  1  0.179  0.136  0.751  1.0
  O  O15  1  0.593  0.378  0.101  1.0
  O  O16  1  0.272  0.360  0.570  1.0
  O  O17  1  0.300  0.245  0.929  1.0
  O  O18  1  0.692  0.320  0.772  1.0
  O  O19  1  0.806  0.614  0.601  1.0
  O  O20  1  0.693  0.771  0.243  1.0
  O  O21  1  0.360  0.859  0.069  1.0
  F  F22  1  0.087  0.360  0.086  1.0
  F  F23  1  0.702  0.117  0.585  1.0
  F  F24  1  0.815  0.074  0.921  1.0
  F  F25  1  0.261  0.148  0.244  1.0
  F  F26  1  0.655  0.364  0.433  1.0
  F  F27  1  0.878  0.578  0.929  1.0
  F  F28  1  0.489  0.855  0.408  1.0
  F  F29  1  0.227  0.627  0.735  1.0
  F  F30  1  0.986  0.768  0.414  1.0
  F  F31  1  0.865  0.868  0.086  1.0
  F  F32  1  0.721  0.818  0.754  1.0
  F  F33  1  0.234  0.861  0.578  1.0
  F  F34  1  0.353  0.733  0.900  1.0
  F  F35  1  0.167  0.658  0.247  1.0
[/CIF]
.