The compound 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 in a 2-coordinate geometry to one F(10), one F(2), one F(3), one F(4), one F(7), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one F(4), one F(7), one F(8), and one F(9) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(11), one F(5), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to one F(10), one F(11), one F(2), one F(3), and one F(5) atom. In the fifth Mn site, Mn(5) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(1), one F(6), one F(8), and one F(9) atom. O(1) is bonded in a distorted trigonal non-coplanar 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 single-bond geometry to one Mn(3) and one Mn(5) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted 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 distorted bent 120 degrees geometry to one Mn(3) and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a 3-coordinate 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 water-like geometry to one Mn(3) and one Mn(4) 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   106.759
_cell_angle_beta   88.628
_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  0.239  0.025  0.416  1.0
  Mn  Mn1  1  0.464  0.738  0.172  1.0
  Mn  Mn2  1  0.671  0.513  0.891  1.0
  Mn  Mn3  1  0.970  0.302  0.636  1.0
  Mn  Mn4  1  0.981  0.987  0.002  1.0
  O  O5  1  0.597  0.750  0.990  1.0
  F  F6  1  0.973  0.932  0.797  1.0
  F  F7  1  0.047  0.200  0.468  1.0
  F  F8  1  0.567  0.113  0.591  1.0
  F  F9  1  0.461  0.371  0.289  1.0
  F  F10  1  0.372  0.465  0.711  1.0
  F  F11  1  0.393  0.150  0.030  1.0
  F  F12  1  0.385  0.832  0.338  1.0
  F  F13  1  0.046  0.619  0.078  1.0
  F  F14  1  0.911  0.988  0.201  1.0
  F  F15  1  0.987  0.678  0.524  1.0
  F  F16  1  0.898  0.325  0.854  1.0
[/CIF]
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The compound 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 in a 2-coordinate geometry to one F(10), one F(2), one F(3), one F(4), one F(7), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one F(4), one F(7), one F(8), and one F(9) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(11), one F(5), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to one F(10), one F(11), one F(2), one F(3), and one F(5) atom. In the fifth Mn site, Mn(5) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(1), one F(6), one F(8), and one F(9) atom. O(1) is bonded in a distorted trigonal non-coplanar 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 single-bond geometry to one Mn(3) and one Mn(5) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted 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 distorted bent 120 degrees geometry to one Mn(3) and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a 3-coordinate 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 water-like geometry to one Mn(3) and one Mn(4) 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   106.759
_cell_angle_beta   88.628
_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  0.239  0.025  0.416  1.0
  Mn  Mn1  1  0.464  0.738  0.172  1.0
  Mn  Mn2  1  0.671  0.513  0.891  1.0
  Mn  Mn3  1  0.970  0.302  0.636  1.0
  Mn  Mn4  1  0.981  0.987  0.002  1.0
  O  O5  1  0.597  0.750  0.990  1.0
  F  F6  1  0.973  0.932  0.797  1.0
  F  F7  1  0.047  0.200  0.468  1.0
  F  F8  1  0.567  0.113  0.591  1.0
  F  F9  1  0.461  0.371  0.289  1.0
  F  F10  1  0.372  0.465  0.711  1.0
  F  F11  1  0.393  0.150  0.030  1.0
  F  F12  1  0.385  0.832  0.338  1.0
  F  F13  1  0.046  0.619  0.078  1.0
  F  F14  1  0.911  0.988  0.201  1.0
  F  F15  1  0.987  0.678  0.524  1.0
  F  F16  1  0.898  0.325  0.854  1.0
[/CIF]
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