The material 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 to one O(3), one O(5), one F(10), one F(13), one F(2), and one F(4) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-45°. In the second Mn site, Mn(2) is bonded to one O(10), one O(9), one F(1), one F(10), one F(14), and one F(2) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, and corners with two equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the third Mn site, Mn(3) is bonded to one O(4), one O(7), one F(1), one F(14), one F(3), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(8), one F(12), one F(3), one F(7), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, and corners with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one F(11), one F(12), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF4 trigonal bipyramids, and edges with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(11), one F(13), one F(4), and one F(8) atom to form distorted MnOF4 trigonal bipyramids that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, and corners with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-69°. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(9), one F(10), and one F(14) atom. In the eighth Mn site, Mn(8) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), one F(13), and one F(6) atom. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(2), one O(6), one O(8), one F(5), and one F(8) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF4 trigonal bipyramids, and edges with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the tenth Mn site, Mn(10) is bonded in a 6-coordinate geometry to one O(7), one O(8), one F(12), one F(5), one F(7), and one F(9) atom. In the eleventh Mn site, Mn(11) is bonded to one O(4), one O(7), one O(9), one F(1), one F(3), and one F(7) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one F(4), 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 trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(9) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(2), one Mn(7), 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(11), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one Mn(12) and one Mn(8) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Mn(10), one Mn(3), and one Mn(4) 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 water-like geometry to one Mn(5) and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), 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   5.116
_cell_length_b   5.696
_cell_length_c   14.684
_cell_angle_alpha   90.609
_cell_angle_beta   91.619
_cell_angle_gamma   90.072
_symmetry_Int_Tables_number   1
_cell_volume   427.709
_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  0.961  0.889  0.006  1.0
  Mn  Mn1  1  0.512  0.146  0.172  1.0
  Mn  Mn2  1  0.010  0.881  0.333  1.0
  Mn  Mn3  1  0.505  0.080  0.514  1.0
  Mn  Mn4  1  0.045  0.885  0.665  1.0
  Mn  Mn5  1  0.508  0.034  0.821  1.0
  Mn  Mn6  1  0.013  0.477  0.168  1.0
  Mn  Mn7  1  0.482  0.491  0.002  1.0
  Mn  Mn8  1  0.515  0.569  0.662  1.0
  Mn  Mn9  1  0.049  0.424  0.492  1.0
  Mn  Mn10  1  0.507  0.588  0.329  1.0
  Mn  Mn11  1  0.960  0.580  0.826  1.0
  O  O12  1  0.357  0.849  0.593  1.0
  O  O13  1  0.739  0.795  0.745  1.0
  O  O14  1  0.181  0.608  0.066  1.0
  O  O15  1  0.826  0.638  0.264  1.0
  O  O16  1  0.755  0.671  0.934  1.0
  O  O17  1  0.213  0.646  0.736  1.0
  O  O18  1  0.196  0.639  0.396  1.0
  O  O19  1  0.355  0.355  0.574  1.0
  O  O20  1  0.327  0.390  0.236  1.0
  O  O21  1  0.688  0.382  0.104  1.0
  F  F22  1  0.345  0.901  0.247  1.0
  F  F23  1  0.685  0.895  0.099  1.0
  F  F24  1  0.665  0.842  0.418  1.0
  F  F25  1  0.215  0.893  0.909  1.0
  F  F26  1  0.837  0.593  0.587  1.0
  F  F27  1  0.242  0.417  0.898  1.0
  F  F28  1  0.681  0.339  0.428  1.0
  F  F29  1  0.676  0.337  0.755  1.0
  F  F30  1  0.176  0.121  0.416  1.0
  F  F31  1  0.175  0.113  0.078  1.0
  F  F32  1  0.178  0.140  0.751  1.0
  F  F33  1  0.874  0.098  0.578  1.0
  F  F34  1  0.702  0.163  0.938  1.0
  F  F35  1  0.846  0.131  0.260  1.0
[/CIF]
.
The material 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 to one O(3), one O(5), one F(10), one F(13), one F(2), and one F(4) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-45°. In the second Mn site, Mn(2) is bonded to one O(10), one O(9), one F(1), one F(10), one F(14), and one F(2) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, and corners with two equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the third Mn site, Mn(3) is bonded to one O(4), one O(7), one F(1), one F(14), one F(3), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(8), one F(12), one F(3), one F(7), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, and corners with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one F(11), one F(12), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF4 trigonal bipyramids, and edges with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(11), one F(13), one F(4), and one F(8) atom to form distorted MnOF4 trigonal bipyramids that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, and corners with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-69°. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(9), one F(10), and one F(14) atom. In the eighth Mn site, Mn(8) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), one F(13), and one F(6) atom. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(2), one O(6), one O(8), one F(5), and one F(8) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF4 trigonal bipyramids, and edges with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the tenth Mn site, Mn(10) is bonded in a 6-coordinate geometry to one O(7), one O(8), one F(12), one F(5), one F(7), and one F(9) atom. In the eleventh Mn site, Mn(11) is bonded to one O(4), one O(7), one O(9), one F(1), one F(3), and one F(7) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one F(4), 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 trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(9) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(2), one Mn(7), 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(11), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one Mn(12) and one Mn(8) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Mn(10), one Mn(3), and one Mn(4) 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 water-like geometry to one Mn(5) and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), 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   5.116
_cell_length_b   5.696
_cell_length_c   14.684
_cell_angle_alpha   90.609
_cell_angle_beta   91.619
_cell_angle_gamma   90.072
_symmetry_Int_Tables_number   1
_cell_volume   427.709
_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  0.961  0.889  0.006  1.0
  Mn  Mn1  1  0.512  0.146  0.172  1.0
  Mn  Mn2  1  0.010  0.881  0.333  1.0
  Mn  Mn3  1  0.505  0.080  0.514  1.0
  Mn  Mn4  1  0.045  0.885  0.665  1.0
  Mn  Mn5  1  0.508  0.034  0.821  1.0
  Mn  Mn6  1  0.013  0.477  0.168  1.0
  Mn  Mn7  1  0.482  0.491  0.002  1.0
  Mn  Mn8  1  0.515  0.569  0.662  1.0
  Mn  Mn9  1  0.049  0.424  0.492  1.0
  Mn  Mn10  1  0.507  0.588  0.329  1.0
  Mn  Mn11  1  0.960  0.580  0.826  1.0
  O  O12  1  0.357  0.849  0.593  1.0
  O  O13  1  0.739  0.795  0.745  1.0
  O  O14  1  0.181  0.608  0.066  1.0
  O  O15  1  0.826  0.638  0.264  1.0
  O  O16  1  0.755  0.671  0.934  1.0
  O  O17  1  0.213  0.646  0.736  1.0
  O  O18  1  0.196  0.639  0.396  1.0
  O  O19  1  0.355  0.355  0.574  1.0
  O  O20  1  0.327  0.390  0.236  1.0
  O  O21  1  0.688  0.382  0.104  1.0
  F  F22  1  0.345  0.901  0.247  1.0
  F  F23  1  0.685  0.895  0.099  1.0
  F  F24  1  0.665  0.842  0.418  1.0
  F  F25  1  0.215  0.893  0.909  1.0
  F  F26  1  0.837  0.593  0.587  1.0
  F  F27  1  0.242  0.417  0.898  1.0
  F  F28  1  0.681  0.339  0.428  1.0
  F  F29  1  0.676  0.337  0.755  1.0
  F  F30  1  0.176  0.121  0.416  1.0
  F  F31  1  0.175  0.113  0.078  1.0
  F  F32  1  0.178  0.140  0.751  1.0
  F  F33  1  0.874  0.098  0.578  1.0
  F  F34  1  0.702  0.163  0.938  1.0
  F  F35  1  0.846  0.131  0.260  1.0
[/CIF]
.