The compound described by (FeHg2O2F5)2O2 crystallizes in the orthorhombic Amm2 space group. The structure consists of two water atoms inside a FeHg2O2F5 framework. In the FeHg2O2F5 framework, Fe(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra and corners with eight equivalent Hg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-56°. Hg(1) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(2) atoms to form distorted HgO2F4 octahedra that share corners with two equivalent Hg(1)O2F4 octahedra, corners with four equivalent Fe(1)F6 octahedra, and edges with two equivalent Hg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Hg(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Hg(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Hg(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Hg(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_FeHg2O3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   3.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.118
_symmetry_Int_Tables_number   1
_cell_volume   173.410
_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
  Fe  Fe0  1  0.995  0.005  0.000  1.0
  Hg  Hg1  1  0.497  0.003  0.500  1.0
  Hg  Hg2  1  0.997  0.503  0.500  1.0
  O  O3  1  0.662  0.338  0.500  1.0
  O  O4  1  0.333  0.667  0.500  1.0
  O  O5  1  0.555  0.445  0.000  1.0
  F  F6  1  0.696  0.939  0.000  1.0
  F  F7  1  0.298  0.066  0.000  1.0
  F  F8  1  0.934  0.702  0.000  1.0
  F  F9  1  0.061  0.304  0.000  1.0
  F  F10  1  0.999  0.001  0.500  1.0
[/CIF]
.
The compound described by (FeHg2O2F5)2O2 crystallizes in the orthorhombic Amm2 space group. The structure consists of two water atoms inside a FeHg2O2F5 framework. In the FeHg2O2F5 framework, Fe(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra and corners with eight equivalent Hg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-56°. Hg(1) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(2) atoms to form distorted HgO2F4 octahedra that share corners with two equivalent Hg(1)O2F4 octahedra, corners with four equivalent Fe(1)F6 octahedra, and edges with two equivalent Hg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Hg(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Hg(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Hg(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Hg(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_FeHg2O3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   6.936
_cell_length_c   3.981
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.118
_symmetry_Int_Tables_number   1
_cell_volume   173.410
_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
  Fe  Fe0  1  0.995  0.005  0.000  1.0
  Hg  Hg1  1  0.497  0.003  0.500  1.0
  Hg  Hg2  1  0.997  0.503  0.500  1.0
  O  O3  1  0.662  0.338  0.500  1.0
  O  O4  1  0.333  0.667  0.500  1.0
  O  O5  1  0.555  0.445  0.000  1.0
  F  F6  1  0.696  0.939  0.000  1.0
  F  F7  1  0.298  0.066  0.000  1.0
  F  F8  1  0.934  0.702  0.000  1.0
  F  F9  1  0.061  0.304  0.000  1.0
  F  F10  1  0.999  0.001  0.500  1.0
[/CIF]
.