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 7-coordinate geometry to one O(3), one O(5), one F(10), one F(13), one F(2), one F(4), and one F(6) atom. 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(8)O3F3 octahedra, corners with two equivalent Mn(3)O2F4 pentagonal pyramids, and edges with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the third Mn site, Mn(3) is bonded to one O(2), one O(6), one F(1), one F(14), one F(5), and one F(9) atom to form distorted MnO2F4 pentagonal pyramids that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(1), one O(8), one F(12), one F(3), one F(5), one F(7), and one F(9) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one O(8), one F(11), and one F(12) atom to form distorted edge-sharing MnO4F2 octahedra. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(7), one F(13), one F(4), and one F(8) atom. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(5), one O(6), one O(9), one F(10), and one F(14) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(8)O3F3 octahedra, corners with two equivalent Mn(3)O2F4 pentagonal pyramids, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(3), one O(5), one F(2), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(7), one O(8), one F(11), one F(3), and one F(8) atom to form distorted edge-sharing MnO3F3 octahedra. In the tenth Mn site, Mn(10) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(8), one F(12), one F(3), 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(2), one O(6), one O(9), one F(1), one F(14), one F(5), and one F(7) atom. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(7), one F(11), one F(4), and one F(6) 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(10), one Mn(4), one Mn(5), and one Mn(9) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom to form edge-sharing OMn4 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the seventh O site, O(7) is bonded to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom to form OMn4 tetrahedra that share corners with two equivalent F(5)Mn4 tetrahedra and corners with two equivalent O(7)Mn4 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar 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 trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the fifth F site, F(5) is bonded to one Mn(10), one Mn(11), one Mn(3), and one Mn(4) atom to form distorted FMn4 tetrahedra that share corners with two equivalent O(8)Mn4 tetrahedra. In the sixth F site, F(6) is bonded in a distorted water-like geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(6) and one Mn(9) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Mn(11), 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   5.282
_cell_length_b   5.365
_cell_length_c   14.832
_cell_angle_alpha   93.874
_cell_angle_beta   91.768
_cell_angle_gamma   91.581
_symmetry_Int_Tables_number   1
_cell_volume   418.973
_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  0.985  0.974  0.002  1.0
  Mn  Mn1  1  0.480  0.157  0.830  1.0
  Mn  Mn2  1  0.987  0.893  0.665  1.0
  Mn  Mn3  1  0.530  0.947  0.493  1.0
  Mn  Mn4  1  0.943  0.985  0.332  1.0
  Mn  Mn5  1  0.440  0.948  0.179  1.0
  Mn  Mn6  1  0.977  0.481  0.833  1.0
  Mn  Mn7  1  0.522  0.616  0.988  1.0
  Mn  Mn8  1  0.616  0.492  0.341  1.0
  Mn  Mn9  1  0.993  0.438  0.493  1.0
  Mn  Mn10  1  0.412  0.533  0.674  1.0
  Mn  Mn11  1  0.917  0.589  0.162  1.0
  O  O12  1  0.840  0.698  0.419  1.0
  O  O13  1  0.181  0.669  0.585  1.0
  O  O14  1  0.707  0.836  0.088  1.0
  O  O15  1  0.132  0.814  0.238  1.0
  O  O16  1  0.823  0.692  0.924  1.0
  O  O17  1  0.145  0.692  0.751  1.0
  O  O18  1  0.654  0.787  0.264  1.0
  O  O19  1  0.743  0.214  0.411  1.0
  O  O20  1  0.646  0.409  0.765  1.0
  O  O21  1  0.313  0.416  0.900  1.0
  F  F22  1  0.647  0.917  0.745  1.0
  F  F23  1  0.335  0.934  0.922  1.0
  F  F24  1  0.337  0.629  0.419  1.0
  F  F25  1  0.222  0.638  0.069  1.0
  F  F26  1  0.685  0.663  0.589  1.0
  F  F27  1  0.734  0.357  0.077  1.0
  F  F28  1  0.410  0.204  0.594  1.0
  F  F29  1  0.414  0.283  0.257  1.0
  F  F30  1  0.905  0.136  0.574  1.0
  F  F31  1  0.838  0.193  0.905  1.0
  F  F32  1  0.911  0.319  0.249  1.0
  F  F33  1  0.216  0.122  0.418  1.0
  F  F34  1  0.231  0.131  0.095  1.0
  F  F35  1  0.130  0.198  0.747  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 7-coordinate geometry to one O(3), one O(5), one F(10), one F(13), one F(2), one F(4), and one F(6) atom. 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(8)O3F3 octahedra, corners with two equivalent Mn(3)O2F4 pentagonal pyramids, and edges with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the third Mn site, Mn(3) is bonded to one O(2), one O(6), one F(1), one F(14), one F(5), and one F(9) atom to form distorted MnO2F4 pentagonal pyramids that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(1), one O(8), one F(12), one F(3), one F(5), one F(7), and one F(9) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one O(8), one F(11), and one F(12) atom to form distorted edge-sharing MnO4F2 octahedra. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(7), one F(13), one F(4), and one F(8) atom. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(5), one O(6), one O(9), one F(10), and one F(14) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(8)O3F3 octahedra, corners with two equivalent Mn(3)O2F4 pentagonal pyramids, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(3), one O(5), one F(2), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(7), one O(8), one F(11), one F(3), and one F(8) atom to form distorted edge-sharing MnO3F3 octahedra. In the tenth Mn site, Mn(10) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(8), one F(12), one F(3), 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(2), one O(6), one O(9), one F(1), one F(14), one F(5), and one F(7) atom. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(7), one F(11), one F(4), and one F(6) 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(10), one Mn(4), one Mn(5), and one Mn(9) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom to form edge-sharing OMn4 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the seventh O site, O(7) is bonded to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom to form OMn4 tetrahedra that share corners with two equivalent F(5)Mn4 tetrahedra and corners with two equivalent O(7)Mn4 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar 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 trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the fifth F site, F(5) is bonded to one Mn(10), one Mn(11), one Mn(3), and one Mn(4) atom to form distorted FMn4 tetrahedra that share corners with two equivalent O(8)Mn4 tetrahedra. In the sixth F site, F(6) is bonded in a distorted water-like geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(6) and one Mn(9) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Mn(11), 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   5.282
_cell_length_b   5.365
_cell_length_c   14.832
_cell_angle_alpha   93.874
_cell_angle_beta   91.768
_cell_angle_gamma   91.581
_symmetry_Int_Tables_number   1
_cell_volume   418.973
_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  0.985  0.974  0.002  1.0
  Mn  Mn1  1  0.480  0.157  0.830  1.0
  Mn  Mn2  1  0.987  0.893  0.665  1.0
  Mn  Mn3  1  0.530  0.947  0.493  1.0
  Mn  Mn4  1  0.943  0.985  0.332  1.0
  Mn  Mn5  1  0.440  0.948  0.179  1.0
  Mn  Mn6  1  0.977  0.481  0.833  1.0
  Mn  Mn7  1  0.522  0.616  0.988  1.0
  Mn  Mn8  1  0.616  0.492  0.341  1.0
  Mn  Mn9  1  0.993  0.438  0.493  1.0
  Mn  Mn10  1  0.412  0.533  0.674  1.0
  Mn  Mn11  1  0.917  0.589  0.162  1.0
  O  O12  1  0.840  0.698  0.419  1.0
  O  O13  1  0.181  0.669  0.585  1.0
  O  O14  1  0.707  0.836  0.088  1.0
  O  O15  1  0.132  0.814  0.238  1.0
  O  O16  1  0.823  0.692  0.924  1.0
  O  O17  1  0.145  0.692  0.751  1.0
  O  O18  1  0.654  0.787  0.264  1.0
  O  O19  1  0.743  0.214  0.411  1.0
  O  O20  1  0.646  0.409  0.765  1.0
  O  O21  1  0.313  0.416  0.900  1.0
  F  F22  1  0.647  0.917  0.745  1.0
  F  F23  1  0.335  0.934  0.922  1.0
  F  F24  1  0.337  0.629  0.419  1.0
  F  F25  1  0.222  0.638  0.069  1.0
  F  F26  1  0.685  0.663  0.589  1.0
  F  F27  1  0.734  0.357  0.077  1.0
  F  F28  1  0.410  0.204  0.594  1.0
  F  F29  1  0.414  0.283  0.257  1.0
  F  F30  1  0.905  0.136  0.574  1.0
  F  F31  1  0.838  0.193  0.905  1.0
  F  F32  1  0.911  0.319  0.249  1.0
  F  F33  1  0.216  0.122  0.418  1.0
  F  F34  1  0.231  0.131  0.095  1.0
  F  F35  1  0.130  0.198  0.747  1.0
[/CIF]
.