The structure described by Mn4OF8 crystallizes in the monoclinic Cc space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(4), one F(7), and one F(8) atom. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(3), one F(5), one F(6), and one F(8) atom to form distorted MnOF5 octahedra that share corners with three equivalent Mn(4)F6 octahedra and  a faceface with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(7), and one F(8) atom to form distorted MnOF5 octahedra that share corners with three equivalent Mn(4)F6 octahedra and  a faceface with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. In the fourth Mn site, Mn(4) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   5.486
_cell_length_c   15.015
_cell_angle_alpha   87.363
_cell_angle_beta   87.363
_cell_angle_gamma   59.175
_symmetry_Int_Tables_number   1
_cell_volume   387.513
_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  0.298  0.358  0.533  1.0
  Mn  Mn1  1  0.668  0.684  0.178  1.0
  Mn  Mn2  1  0.358  0.298  0.033  1.0
  Mn  Mn3  1  0.667  0.658  0.986  1.0
  Mn  Mn4  1  0.658  0.667  0.486  1.0
  Mn  Mn5  1  0.324  0.346  0.320  1.0
  Mn  Mn6  1  0.346  0.324  0.820  1.0
  Mn  Mn7  1  0.684  0.668  0.678  1.0
  O  O8  1  0.442  0.909  0.079  1.0
  O  O9  1  0.909  0.442  0.579  1.0
  F  F10  1  0.362  0.685  0.573  1.0
  F  F11  1  0.017  0.385  0.923  1.0
  F  F12  1  0.419  0.961  0.754  1.0
  F  F13  1  0.685  0.362  0.073  1.0
  F  F14  1  0.385  0.017  0.423  1.0
  F  F15  1  0.000  0.602  0.420  1.0
  F  F16  1  0.025  0.606  0.741  1.0
  F  F17  1  0.961  0.419  0.254  1.0
  F  F18  1  0.378  0.634  0.242  1.0
  F  F19  1  0.387  0.562  0.927  1.0
  F  F20  1  0.616  0.989  0.588  1.0
  F  F21  1  0.602  0.000  0.920  1.0
  F  F22  1  0.606  0.025  0.241  1.0
  F  F23  1  0.562  0.387  0.427  1.0
  F  F24  1  0.989  0.616  0.088  1.0
  F  F25  1  0.634  0.378  0.742  1.0
[/CIF]
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The structure described by Mn4OF8 crystallizes in the monoclinic Cc space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(4), one F(7), and one F(8) atom. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(3), one F(5), one F(6), and one F(8) atom to form distorted MnOF5 octahedra that share corners with three equivalent Mn(4)F6 octahedra and  a faceface with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(7), and one F(8) atom to form distorted MnOF5 octahedra that share corners with three equivalent Mn(4)F6 octahedra and  a faceface with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. In the fourth Mn site, Mn(4) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   5.486
_cell_length_c   15.015
_cell_angle_alpha   87.363
_cell_angle_beta   87.363
_cell_angle_gamma   59.175
_symmetry_Int_Tables_number   1
_cell_volume   387.513
_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  0.298  0.358  0.533  1.0
  Mn  Mn1  1  0.668  0.684  0.178  1.0
  Mn  Mn2  1  0.358  0.298  0.033  1.0
  Mn  Mn3  1  0.667  0.658  0.986  1.0
  Mn  Mn4  1  0.658  0.667  0.486  1.0
  Mn  Mn5  1  0.324  0.346  0.320  1.0
  Mn  Mn6  1  0.346  0.324  0.820  1.0
  Mn  Mn7  1  0.684  0.668  0.678  1.0
  O  O8  1  0.442  0.909  0.079  1.0
  O  O9  1  0.909  0.442  0.579  1.0
  F  F10  1  0.362  0.685  0.573  1.0
  F  F11  1  0.017  0.385  0.923  1.0
  F  F12  1  0.419  0.961  0.754  1.0
  F  F13  1  0.685  0.362  0.073  1.0
  F  F14  1  0.385  0.017  0.423  1.0
  F  F15  1  0.000  0.602  0.420  1.0
  F  F16  1  0.025  0.606  0.741  1.0
  F  F17  1  0.961  0.419  0.254  1.0
  F  F18  1  0.378  0.634  0.242  1.0
  F  F19  1  0.387  0.562  0.927  1.0
  F  F20  1  0.616  0.989  0.588  1.0
  F  F21  1  0.602  0.000  0.920  1.0
  F  F22  1  0.606  0.025  0.241  1.0
  F  F23  1  0.562  0.387  0.427  1.0
  F  F24  1  0.989  0.616  0.088  1.0
  F  F25  1  0.634  0.378  0.742  1.0
[/CIF]
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