The material 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(10), one F(2), one F(3), one F(4), one F(7), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Mn(5)OF5 octahedra, corners with three equivalent Mn(4)F6 octahedra, and corners with three equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Mn site, Mn(2) is bonded to one O(1), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 octahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(11), one F(5), one F(6), and one F(8) atom to form distorted MnOF5 octahedra that share corners with two equivalent Mn(5)OF5 octahedra, corners with three equivalent Mn(4)F6 octahedra, corners with three equivalent Mn(2)OF5 octahedra, and  a faceface with one Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(10), one F(11), one F(2), one F(3), and one F(5) atom to form MnF6 octahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(1)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)F6 octahedra, edges with two equivalent Mn(2)OF5 octahedra, and  a faceface with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. O(1) is bonded in a distorted T-shaped 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 distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. is represented by the CIF file [CIF]
data_Mn5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.710
_cell_length_c   9.235
_cell_angle_alpha   73.241
_cell_angle_beta   91.372
_cell_angle_gamma   116.044
_symmetry_Int_Tables_number   1
_cell_volume   237.046
_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  0.761  0.559  0.416  1.0
  Mn  Mn1  1  0.536  0.090  0.172  1.0
  Mn  Mn2  1  0.329  0.596  0.891  1.0
  Mn  Mn3  1  0.030  0.063  0.636  1.0
  Mn  Mn4  1  0.019  0.012  0.002  1.0
  O  O5  1  0.403  0.260  0.990  1.0
  F  F6  1  0.027  0.271  0.797  1.0
  F  F7  1  0.953  0.332  0.468  1.0
  F  F8  1  0.433  0.296  0.591  1.0
  F  F9  1  0.539  0.341  0.289  1.0
  F  F10  1  0.628  0.824  0.711  1.0
  F  F11  1  0.607  0.820  0.030  1.0
  F  F12  1  0.615  0.830  0.338  1.0
  F  F13  1  0.954  0.303  0.078  1.0
  F  F14  1  0.089  0.810  0.201  1.0
  F  F15  1  0.013  0.798  0.524  1.0
  F  F16  1  0.102  0.821  0.854  1.0
[/CIF]
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The material 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(10), one F(2), one F(3), one F(4), one F(7), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Mn(5)OF5 octahedra, corners with three equivalent Mn(4)F6 octahedra, and corners with three equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Mn site, Mn(2) is bonded to one O(1), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form distorted MnOF5 octahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the third Mn site, Mn(3) is bonded to one O(1), one F(1), one F(11), one F(5), one F(6), and one F(8) atom to form distorted MnOF5 octahedra that share corners with two equivalent Mn(5)OF5 octahedra, corners with three equivalent Mn(4)F6 octahedra, corners with three equivalent Mn(2)OF5 octahedra, and  a faceface with one Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(10), one F(11), one F(2), one F(3), and one F(5) atom to form MnF6 octahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with three equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. In the fifth Mn site, Mn(5) is bonded to one O(1), one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(1)F6 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)F6 octahedra, edges with two equivalent Mn(2)OF5 octahedra, and  a faceface with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. O(1) is bonded in a distorted T-shaped 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 distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. is represented by the CIF file [CIF]
data_Mn5OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.710
_cell_length_c   9.235
_cell_angle_alpha   73.241
_cell_angle_beta   91.372
_cell_angle_gamma   116.044
_symmetry_Int_Tables_number   1
_cell_volume   237.046
_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  0.761  0.559  0.416  1.0
  Mn  Mn1  1  0.536  0.090  0.172  1.0
  Mn  Mn2  1  0.329  0.596  0.891  1.0
  Mn  Mn3  1  0.030  0.063  0.636  1.0
  Mn  Mn4  1  0.019  0.012  0.002  1.0
  O  O5  1  0.403  0.260  0.990  1.0
  F  F6  1  0.027  0.271  0.797  1.0
  F  F7  1  0.953  0.332  0.468  1.0
  F  F8  1  0.433  0.296  0.591  1.0
  F  F9  1  0.539  0.341  0.289  1.0
  F  F10  1  0.628  0.824  0.711  1.0
  F  F11  1  0.607  0.820  0.030  1.0
  F  F12  1  0.615  0.830  0.338  1.0
  F  F13  1  0.954  0.303  0.078  1.0
  F  F14  1  0.089  0.810  0.201  1.0
  F  F15  1  0.013  0.798  0.524  1.0
  F  F16  1  0.102  0.821  0.854  1.0
[/CIF]
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