The material described by Mn6OF11 crystallizes in the monoclinic P2 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and two equivalent F(10) atoms to form distorted corner-sharing MnO2F2 tetrahedra. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(1), one F(10), one F(11), one F(3), one F(4), one F(6), and one F(8) atom. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to one F(1), one F(11), one F(2), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. In the fifth Mn site, Mn(5) is bonded in a 8-coordinate geometry to one O(1), one F(1), one F(10), one F(11), one F(3), one F(4), one F(6), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(6) atoms to form distorted corner-sharing MnO2F4 pentagonal pyramids. In the seventh Mn site, Mn(7) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(2), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the eighth Mn site, Mn(8) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the second F site, F(2) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fifth F site, F(5) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the seventh F site, F(7) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the ninth F site, F(9) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.261
_cell_length_c   15.765
_cell_angle_alpha   87.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.768
_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  0.046  0.000  0.000  1.0
  Mn  Mn1  1  0.984  0.515  0.167  1.0
  Mn  Mn2  1  0.983  0.005  0.332  1.0
  Mn  Mn3  1  0.993  0.500  0.500  1.0
  Mn  Mn4  1  0.983  0.995  0.668  1.0
  Mn  Mn5  1  0.984  0.485  0.833  1.0
  Mn  Mn6  1  0.490  0.025  0.160  1.0
  Mn  Mn7  1  0.458  0.500  0.000  1.0
  Mn  Mn8  1  0.472  0.494  0.668  1.0
  Mn  Mn9  1  0.497  0.000  0.500  1.0
  Mn  Mn10  1  0.472  0.506  0.332  1.0
  Mn  Mn11  1  0.490  0.975  0.840  1.0
  O  O12  1  0.258  0.216  0.061  1.0
  O  O13  1  0.258  0.784  0.939  1.0
  F  F14  1  0.219  0.778  0.260  1.0
  F  F15  1  0.223  0.768  0.592  1.0
  F  F16  1  0.223  0.232  0.408  1.0
  F  F17  1  0.219  0.222  0.740  1.0
  F  F18  1  0.314  0.696  0.106  1.0
  F  F19  1  0.265  0.281  0.238  1.0
  F  F20  1  0.275  0.274  0.572  1.0
  F  F21  1  0.314  0.304  0.894  1.0
  F  F22  1  0.265  0.719  0.762  1.0
  F  F23  1  0.275  0.726  0.428  1.0
  F  F24  1  0.731  0.655  0.927  1.0
  F  F25  1  0.723  0.731  0.589  1.0
  F  F26  1  0.719  0.717  0.249  1.0
  F  F27  1  0.731  0.345  0.073  1.0
  F  F28  1  0.723  0.269  0.411  1.0
  F  F29  1  0.719  0.283  0.751  1.0
  F  F30  1  0.770  0.770  0.421  1.0
  F  F31  1  0.814  0.846  0.091  1.0
  F  F32  1  0.765  0.784  0.761  1.0
  F  F33  1  0.770  0.230  0.579  1.0
  F  F34  1  0.814  0.154  0.909  1.0
  F  F35  1  0.765  0.216  0.239  1.0
[/CIF]
.
The material described by Mn6OF11 crystallizes in the monoclinic P2 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and two equivalent F(10) atoms to form distorted corner-sharing MnO2F2 tetrahedra. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(1), one F(10), one F(11), one F(3), one F(4), one F(6), and one F(8) atom. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to one F(1), one F(11), one F(2), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. In the fifth Mn site, Mn(5) is bonded in a 8-coordinate geometry to one O(1), one F(1), one F(10), one F(11), one F(3), one F(4), one F(6), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(6) atoms to form distorted corner-sharing MnO2F4 pentagonal pyramids. In the seventh Mn site, Mn(7) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(2), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. In the eighth Mn site, Mn(8) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the second F site, F(2) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fifth F site, F(5) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the seventh F site, F(7) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the ninth F site, F(9) is bonded to one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.261
_cell_length_c   15.765
_cell_angle_alpha   87.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.768
_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  0.046  0.000  0.000  1.0
  Mn  Mn1  1  0.984  0.515  0.167  1.0
  Mn  Mn2  1  0.983  0.005  0.332  1.0
  Mn  Mn3  1  0.993  0.500  0.500  1.0
  Mn  Mn4  1  0.983  0.995  0.668  1.0
  Mn  Mn5  1  0.984  0.485  0.833  1.0
  Mn  Mn6  1  0.490  0.025  0.160  1.0
  Mn  Mn7  1  0.458  0.500  0.000  1.0
  Mn  Mn8  1  0.472  0.494  0.668  1.0
  Mn  Mn9  1  0.497  0.000  0.500  1.0
  Mn  Mn10  1  0.472  0.506  0.332  1.0
  Mn  Mn11  1  0.490  0.975  0.840  1.0
  O  O12  1  0.258  0.216  0.061  1.0
  O  O13  1  0.258  0.784  0.939  1.0
  F  F14  1  0.219  0.778  0.260  1.0
  F  F15  1  0.223  0.768  0.592  1.0
  F  F16  1  0.223  0.232  0.408  1.0
  F  F17  1  0.219  0.222  0.740  1.0
  F  F18  1  0.314  0.696  0.106  1.0
  F  F19  1  0.265  0.281  0.238  1.0
  F  F20  1  0.275  0.274  0.572  1.0
  F  F21  1  0.314  0.304  0.894  1.0
  F  F22  1  0.265  0.719  0.762  1.0
  F  F23  1  0.275  0.726  0.428  1.0
  F  F24  1  0.731  0.655  0.927  1.0
  F  F25  1  0.723  0.731  0.589  1.0
  F  F26  1  0.719  0.717  0.249  1.0
  F  F27  1  0.731  0.345  0.073  1.0
  F  F28  1  0.723  0.269  0.411  1.0
  F  F29  1  0.719  0.283  0.751  1.0
  F  F30  1  0.770  0.770  0.421  1.0
  F  F31  1  0.814  0.846  0.091  1.0
  F  F32  1  0.765  0.784  0.761  1.0
  F  F33  1  0.770  0.230  0.579  1.0
  F  F34  1  0.814  0.154  0.909  1.0
  F  F35  1  0.765  0.216  0.239  1.0
[/CIF]
.