The material structure described by MnH6(OF)3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent F(3) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one F(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one F(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(3) and one F(1) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(3) and one F(2) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted water-like geometry to one Mn(2), one H(3), and one H(4) atom. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to one Mn(1), one H(1), and one H(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(3), and one H(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one H(1), and one H(6) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Mn(2) atom. is represented by the CIF file [CIF]
data_MnH6(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.310
_cell_length_b   9.405
_cell_length_c   6.271
_cell_angle_alpha   89.998
_cell_angle_beta   97.140
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   486.307
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.557  0.222  0.661  1.0
  H  H5  1  0.443  0.722  0.839  1.0
  H  H6  1  0.443  0.778  0.339  1.0
  H  H7  1  0.557  0.278  0.161  1.0
  H  H8  1  0.713  0.316  0.714  1.0
  H  H9  1  0.287  0.816  0.786  1.0
  H  H10  1  0.287  0.684  0.286  1.0
  H  H11  1  0.713  0.184  0.214  1.0
  H  H12  1  0.128  0.411  0.394  1.0
  H  H13  1  0.872  0.912  0.106  1.0
  H  H14  1  0.872  0.589  0.606  1.0
  H  H15  1  0.128  0.088  0.894  1.0
  H  H16  1  0.987  0.302  0.317  1.0
  H  H17  1  0.013  0.802  0.183  1.0
  H  H18  1  0.013  0.698  0.683  1.0
  H  H19  1  0.987  0.198  0.817  1.0
  H  H20  1  0.247  0.429  0.791  1.0
  H  H21  1  0.753  0.929  0.709  1.0
  H  H22  1  0.753  0.571  0.209  1.0
  H  H23  1  0.247  0.071  0.291  1.0
  H  H24  1  0.308  0.422  0.044  1.0
  H  H25  1  0.692  0.922  0.456  1.0
  H  H26  1  0.692  0.578  0.956  1.0
  H  H27  1  0.308  0.078  0.544  1.0
  O  O28  1  0.616  0.303  0.611  1.0
  O  O29  1  0.384  0.803  0.889  1.0
  O  O30  1  0.384  0.697  0.389  1.0
  O  O31  1  0.616  0.197  0.111  1.0
  O  O32  1  0.028  0.397  0.295  1.0
  O  O33  1  0.972  0.897  0.205  1.0
  O  O34  1  0.972  0.603  0.705  1.0
  O  O35  1  0.028  0.103  0.795  1.0
  O  O36  1  0.212  0.413  0.934  1.0
  O  O37  1  0.788  0.913  0.566  1.0
  O  O38  1  0.788  0.587  0.066  1.0
  O  O39  1  0.212  0.087  0.434  1.0
  F  F40  1  0.297  0.436  0.553  1.0
  F  F41  1  0.703  0.936  0.947  1.0
  F  F42  1  0.703  0.564  0.447  1.0
  F  F43  1  0.297  0.064  0.053  1.0
  F  F44  1  0.537  0.574  0.777  1.0
  F  F45  1  0.463  0.074  0.723  1.0
  F  F46  1  0.463  0.426  0.223  1.0
  F  F47  1  0.537  0.926  0.277  1.0
  F  F48  1  0.893  0.350  0.867  1.0
  F  F49  1  0.107  0.850  0.633  1.0
  F  F50  1  0.107  0.650  0.133  1.0
  F  F51  1  0.893  0.150  0.367  1.0
[/CIF]
.
The material structure described by MnH6(OF)3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent F(3) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one F(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one F(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(3) and one F(1) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(3) and one F(2) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted water-like geometry to one Mn(2), one H(3), and one H(4) atom. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a distorted water-like geometry to one Mn(1), one H(1), and one H(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(3), and one H(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one H(1), and one H(6) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Mn(2) atom. is represented by the CIF file [CIF]
data_MnH6(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.310
_cell_length_b   9.405
_cell_length_c   6.271
_cell_angle_alpha   89.998
_cell_angle_beta   97.140
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   486.307
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.557  0.222  0.661  1.0
  H  H5  1  0.443  0.722  0.839  1.0
  H  H6  1  0.443  0.778  0.339  1.0
  H  H7  1  0.557  0.278  0.161  1.0
  H  H8  1  0.713  0.316  0.714  1.0
  H  H9  1  0.287  0.816  0.786  1.0
  H  H10  1  0.287  0.684  0.286  1.0
  H  H11  1  0.713  0.184  0.214  1.0
  H  H12  1  0.128  0.411  0.394  1.0
  H  H13  1  0.872  0.912  0.106  1.0
  H  H14  1  0.872  0.589  0.606  1.0
  H  H15  1  0.128  0.088  0.894  1.0
  H  H16  1  0.987  0.302  0.317  1.0
  H  H17  1  0.013  0.802  0.183  1.0
  H  H18  1  0.013  0.698  0.683  1.0
  H  H19  1  0.987  0.198  0.817  1.0
  H  H20  1  0.247  0.429  0.791  1.0
  H  H21  1  0.753  0.929  0.709  1.0
  H  H22  1  0.753  0.571  0.209  1.0
  H  H23  1  0.247  0.071  0.291  1.0
  H  H24  1  0.308  0.422  0.044  1.0
  H  H25  1  0.692  0.922  0.456  1.0
  H  H26  1  0.692  0.578  0.956  1.0
  H  H27  1  0.308  0.078  0.544  1.0
  O  O28  1  0.616  0.303  0.611  1.0
  O  O29  1  0.384  0.803  0.889  1.0
  O  O30  1  0.384  0.697  0.389  1.0
  O  O31  1  0.616  0.197  0.111  1.0
  O  O32  1  0.028  0.397  0.295  1.0
  O  O33  1  0.972  0.897  0.205  1.0
  O  O34  1  0.972  0.603  0.705  1.0
  O  O35  1  0.028  0.103  0.795  1.0
  O  O36  1  0.212  0.413  0.934  1.0
  O  O37  1  0.788  0.913  0.566  1.0
  O  O38  1  0.788  0.587  0.066  1.0
  O  O39  1  0.212  0.087  0.434  1.0
  F  F40  1  0.297  0.436  0.553  1.0
  F  F41  1  0.703  0.936  0.947  1.0
  F  F42  1  0.703  0.564  0.447  1.0
  F  F43  1  0.297  0.064  0.053  1.0
  F  F44  1  0.537  0.574  0.777  1.0
  F  F45  1  0.463  0.074  0.723  1.0
  F  F46  1  0.463  0.426  0.223  1.0
  F  F47  1  0.537  0.926  0.277  1.0
  F  F48  1  0.893  0.350  0.867  1.0
  F  F49  1  0.107  0.850  0.633  1.0
  F  F50  1  0.107  0.650  0.133  1.0
  F  F51  1  0.893  0.150  0.367  1.0
[/CIF]
.