The compound described by HoC2H4O6F(H2O)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight water molecules inside a HoC2H4O6F framework. In the HoC2H4O6F framework, Ho(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ho(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ho(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ho(1), one H(1), and one H(2) atom. F(1) is bonded in a linear geometry to two equivalent Ho(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoH8C2O8F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.200
_cell_length_b   8.200
_cell_length_c   8.191
_cell_angle_alpha   63.860
_cell_angle_beta   63.860
_cell_angle_gamma   85.666
_symmetry_Int_Tables_number   1
_cell_volume   439.004
_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
  Ho  Ho0  1  0.069  0.931  0.750  1.0
  Ho  Ho1  1  0.931  0.069  0.250  1.0
  H  H2  1  0.652  0.834  0.939  1.0
  H  H3  1  0.166  0.348  0.561  1.0
  H  H4  1  0.348  0.166  0.061  1.0
  H  H5  1  0.834  0.652  0.439  1.0
  H  H6  1  0.088  0.304  0.432  1.0
  H  H7  1  0.696  0.912  0.068  1.0
  H  H8  1  0.912  0.696  0.568  1.0
  H  H9  1  0.304  0.088  0.932  1.0
  H  H10  1  0.340  0.680  0.015  1.0
  H  H11  1  0.320  0.660  0.485  1.0
  H  H12  1  0.660  0.320  0.985  1.0
  H  H13  1  0.680  0.340  0.515  1.0
  H  H14  1  0.441  0.677  0.140  1.0
  H  H15  1  0.323  0.559  0.360  1.0
  H  H16  1  0.559  0.323  0.860  1.0
  H  H17  1  0.677  0.441  0.640  1.0
  C  C18  1  0.507  0.052  0.557  1.0
  C  C19  1  0.948  0.493  0.943  1.0
  C  C20  1  0.493  0.948  0.443  1.0
  C  C21  1  0.052  0.507  0.057  1.0
  O  O22  1  0.358  0.051  0.701  1.0
  O  O23  1  0.949  0.642  0.799  1.0
  O  O24  1  0.642  0.949  0.299  1.0
  O  O25  1  0.051  0.358  0.201  1.0
  O  O26  1  0.128  0.666  0.995  1.0
  O  O27  1  0.334  0.872  0.505  1.0
  O  O28  1  0.872  0.334  0.005  1.0
  O  O29  1  0.666  0.128  0.495  1.0
  O  O30  1  0.100  0.253  0.559  1.0
  O  O31  1  0.747  0.900  0.941  1.0
  O  O32  1  0.900  0.747  0.441  1.0
  O  O33  1  0.253  0.100  0.059  1.0
  O  O34  1  0.462  0.677  0.013  1.0
  O  O35  1  0.323  0.538  0.487  1.0
  O  O36  1  0.538  0.323  0.987  1.0
  O  O37  1  0.677  0.462  0.513  1.0
  F  F38  1  0.000  0.000  0.500  1.0
  F  F39  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by HoC2H4O6F(H2O)2 crystallizes in the monoclinic C2/c space group. The structure consists of eight water molecules inside a HoC2H4O6F framework. In the HoC2H4O6F framework, Ho(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ho(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ho(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ho(1), one H(1), and one H(2) atom. F(1) is bonded in a linear geometry to two equivalent Ho(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoH8C2O8F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.200
_cell_length_b   8.200
_cell_length_c   8.191
_cell_angle_alpha   63.860
_cell_angle_beta   63.860
_cell_angle_gamma   85.666
_symmetry_Int_Tables_number   1
_cell_volume   439.004
_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
  Ho  Ho0  1  0.069  0.931  0.750  1.0
  Ho  Ho1  1  0.931  0.069  0.250  1.0
  H  H2  1  0.652  0.834  0.939  1.0
  H  H3  1  0.166  0.348  0.561  1.0
  H  H4  1  0.348  0.166  0.061  1.0
  H  H5  1  0.834  0.652  0.439  1.0
  H  H6  1  0.088  0.304  0.432  1.0
  H  H7  1  0.696  0.912  0.068  1.0
  H  H8  1  0.912  0.696  0.568  1.0
  H  H9  1  0.304  0.088  0.932  1.0
  H  H10  1  0.340  0.680  0.015  1.0
  H  H11  1  0.320  0.660  0.485  1.0
  H  H12  1  0.660  0.320  0.985  1.0
  H  H13  1  0.680  0.340  0.515  1.0
  H  H14  1  0.441  0.677  0.140  1.0
  H  H15  1  0.323  0.559  0.360  1.0
  H  H16  1  0.559  0.323  0.860  1.0
  H  H17  1  0.677  0.441  0.640  1.0
  C  C18  1  0.507  0.052  0.557  1.0
  C  C19  1  0.948  0.493  0.943  1.0
  C  C20  1  0.493  0.948  0.443  1.0
  C  C21  1  0.052  0.507  0.057  1.0
  O  O22  1  0.358  0.051  0.701  1.0
  O  O23  1  0.949  0.642  0.799  1.0
  O  O24  1  0.642  0.949  0.299  1.0
  O  O25  1  0.051  0.358  0.201  1.0
  O  O26  1  0.128  0.666  0.995  1.0
  O  O27  1  0.334  0.872  0.505  1.0
  O  O28  1  0.872  0.334  0.005  1.0
  O  O29  1  0.666  0.128  0.495  1.0
  O  O30  1  0.100  0.253  0.559  1.0
  O  O31  1  0.747  0.900  0.941  1.0
  O  O32  1  0.900  0.747  0.441  1.0
  O  O33  1  0.253  0.100  0.059  1.0
  O  O34  1  0.462  0.677  0.013  1.0
  O  O35  1  0.323  0.538  0.487  1.0
  O  O36  1  0.538  0.323  0.987  1.0
  O  O37  1  0.677  0.462  0.513  1.0
  F  F38  1  0.000  0.000  0.500  1.0
  F  F39  1  0.000  0.000  0.000  1.0
[/CIF]
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