The material structure described by Mn5OF11 crystallizes in the triclinic P1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(10), one F(2), one F(5), one F(8), and one F(9) atom to form MnF6 octahedra that share corners with three equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)F6 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(5), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 octahedra that share corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(5)OF5 octahedra, edges with two equivalent Mn(1)F6 octahedra, and  a faceface with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(3), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 octahedra that share  a cornercorner with one Mn(4)F6 octahedra, corners with two equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(5)OF5 octahedra, and  a faceface with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(11), one F(2), one F(3), one F(4), and one F(6) atom to form MnF6 octahedra that share  a cornercorner with one Mn(3)OF5 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and edges with two equivalent Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles are 54°. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(11), one F(3), one F(4), one F(6), and one F(7) atom to form MnOF5 octahedra that share corners with three equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(5) 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. In the ninth F site, F(9) is bonded in a T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. is represented by the CIF card [CIF]
data_Mn5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.800
_cell_length_c   9.332
_cell_angle_alpha   107.431
_cell_angle_beta   90.258
_cell_angle_gamma   64.588
_symmetry_Int_Tables_number   1
_cell_volume   255.642
_cell_formula_units_Z   1
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  0.995  0.986  0.330  1.0
  Mn  Mn1  1  0.475  0.054  0.161  1.0
  Mn  Mn2  1  0.767  0.435  0.071  1.0
  Mn  Mn3  1  0.006  0.980  0.665  1.0
  Mn  Mn4  1  0.506  0.013  0.841  1.0
  O  O5  1  0.542  0.222  0.033  1.0
  F  F6  1  0.050  0.219  0.195  1.0
  F  F7  1  0.030  0.194  0.556  1.0
  F  F8  1  0.055  0.215  0.869  1.0
  F  F9  1  0.588  0.222  0.742  1.0
  F  F10  1  0.576  0.244  0.333  1.0
  F  F11  1  0.425  0.809  0.666  1.0
  F  F12  1  0.492  0.784  0.964  1.0
  F  F13  1  0.429  0.802  0.249  1.0
  F  F14  1  0.899  0.740  0.141  1.0
  F  F15  1  0.990  0.758  0.470  1.0
  F  F16  1  0.940  0.778  0.768  1.0
[/CIF]
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The material structure described by Mn5OF11 crystallizes in the triclinic P1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(10), one F(2), one F(5), one F(8), and one F(9) atom to form MnF6 octahedra that share corners with three equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)F6 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(5), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 octahedra that share corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(5)OF5 octahedra, edges with two equivalent Mn(1)F6 octahedra, and  a faceface with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(3), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 octahedra that share  a cornercorner with one Mn(4)F6 octahedra, corners with two equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(5)OF5 octahedra, and  a faceface with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(11), one F(2), one F(3), one F(4), and one F(6) atom to form MnF6 octahedra that share  a cornercorner with one Mn(3)OF5 octahedra,  an edgeedge with one Mn(1)F6 octahedra, and edges with two equivalent Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles are 54°. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(11), one F(3), one F(4), one F(6), and one F(7) atom to form MnOF5 octahedra that share corners with three equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(5) 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. In the ninth F site, F(9) is bonded in a T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. is represented by the CIF card [CIF]
data_Mn5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.800
_cell_length_c   9.332
_cell_angle_alpha   107.431
_cell_angle_beta   90.258
_cell_angle_gamma   64.588
_symmetry_Int_Tables_number   1
_cell_volume   255.642
_cell_formula_units_Z   1
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  0.995  0.986  0.330  1.0
  Mn  Mn1  1  0.475  0.054  0.161  1.0
  Mn  Mn2  1  0.767  0.435  0.071  1.0
  Mn  Mn3  1  0.006  0.980  0.665  1.0
  Mn  Mn4  1  0.506  0.013  0.841  1.0
  O  O5  1  0.542  0.222  0.033  1.0
  F  F6  1  0.050  0.219  0.195  1.0
  F  F7  1  0.030  0.194  0.556  1.0
  F  F8  1  0.055  0.215  0.869  1.0
  F  F9  1  0.588  0.222  0.742  1.0
  F  F10  1  0.576  0.244  0.333  1.0
  F  F11  1  0.425  0.809  0.666  1.0
  F  F12  1  0.492  0.784  0.964  1.0
  F  F13  1  0.429  0.802  0.249  1.0
  F  F14  1  0.899  0.740  0.141  1.0
  F  F15  1  0.990  0.758  0.470  1.0
  F  F16  1  0.940  0.778  0.768  1.0
[/CIF]
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