The structure described by MnH4(OF2)2 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one F(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one F(1) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one H(1), and one H(2) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one H(1) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one H(2) atom. is represented by the CIF card [CIF]
data_MnH4(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.142
_cell_length_b   6.795
_cell_length_c   7.742
_cell_angle_alpha   85.886
_cell_angle_beta   66.628
_cell_angle_gamma   63.130
_symmetry_Int_Tables_number   1
_cell_volume   262.316
_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
  F  F0  1  0.446  0.039  0.235  1.0
  F  F1  1  0.559  0.462  0.265  1.0
  F  F2  1  0.285  0.539  0.735  1.0
  F  F3  1  0.719  0.962  0.765  1.0
  F  F4  1  0.319  0.158  0.664  1.0
  F  F5  1  0.686  0.341  0.836  1.0
  F  F6  1  0.863  0.659  0.164  1.0
  F  F7  1  0.142  0.841  0.336  1.0
  H  H8  1  0.904  0.066  0.431  1.0
  H  H9  1  0.603  0.566  0.931  1.0
  H  H10  1  0.101  0.433  0.069  1.0
  H  H11  1  0.402  0.933  0.569  1.0
  H  H12  1  0.332  0.200  0.099  1.0
  H  H13  1  0.672  0.300  0.401  1.0
  H  H14  1  0.373  0.700  0.599  1.0
  H  H15  1  0.632  0.800  0.901  1.0
  Mn  Mn16  1  0.502  0.250  0.750  1.0
  Mn  Mn17  1  0.502  0.750  0.250  1.0
  O  O18  1  0.755  0.222  0.491  1.0
  O  O19  1  0.250  0.278  0.009  1.0
  O  O20  1  0.537  0.722  0.991  1.0
  O  O21  1  0.468  0.778  0.509  1.0
[/CIF]
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The structure described by MnH4(OF2)2 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one F(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one F(1) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one H(1), and one H(2) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one H(1) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one H(2) atom. is represented by the CIF card [CIF]
data_MnH4(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.142
_cell_length_b   6.795
_cell_length_c   7.742
_cell_angle_alpha   85.886
_cell_angle_beta   66.628
_cell_angle_gamma   63.130
_symmetry_Int_Tables_number   1
_cell_volume   262.316
_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
  F  F0  1  0.446  0.039  0.235  1.0
  F  F1  1  0.559  0.462  0.265  1.0
  F  F2  1  0.285  0.539  0.735  1.0
  F  F3  1  0.719  0.962  0.765  1.0
  F  F4  1  0.319  0.158  0.664  1.0
  F  F5  1  0.686  0.341  0.836  1.0
  F  F6  1  0.863  0.659  0.164  1.0
  F  F7  1  0.142  0.841  0.336  1.0
  H  H8  1  0.904  0.066  0.431  1.0
  H  H9  1  0.603  0.566  0.931  1.0
  H  H10  1  0.101  0.433  0.069  1.0
  H  H11  1  0.402  0.933  0.569  1.0
  H  H12  1  0.332  0.200  0.099  1.0
  H  H13  1  0.672  0.300  0.401  1.0
  H  H14  1  0.373  0.700  0.599  1.0
  H  H15  1  0.632  0.800  0.901  1.0
  Mn  Mn16  1  0.502  0.250  0.750  1.0
  Mn  Mn17  1  0.502  0.750  0.250  1.0
  O  O18  1  0.755  0.222  0.491  1.0
  O  O19  1  0.250  0.278  0.009  1.0
  O  O20  1  0.537  0.722  0.991  1.0
  O  O21  1  0.468  0.778  0.509  1.0
[/CIF]
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