The compound described by Hg(ReO3)3 crystallizes in the hexagonal P6mm space group. The structure consists of one 7439-97-6 atom inside a ReO3 framework. In the ReO3 framework, Re(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent Re(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_Re3HgO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.440
_cell_length_b   7.440
_cell_length_c   3.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   181.641
_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
  Re  Re0  1  0.500  0.500  0.496  1.0
  Re  Re1  1  0.500  0.000  0.496  1.0
  Re  Re2  1  0.000  0.500  0.496  1.0
  Hg  Hg3  1  0.000  0.000  0.744  1.0
  O  O4  1  0.575  0.787  0.502  1.0
  O  O5  1  0.213  0.787  0.502  1.0
  O  O6  1  0.213  0.425  0.502  1.0
  O  O7  1  0.787  0.575  0.502  1.0
  O  O8  1  0.787  0.213  0.502  1.0
  O  O9  1  0.425  0.213  0.502  1.0
  O  O10  1  0.500  0.500  0.998  1.0
  O  O11  1  0.500  0.000  0.998  1.0
  O  O12  1  0.000  0.500  0.998  1.0
[/CIF]
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The compound described by Hg(ReO3)3 crystallizes in the hexagonal P6mm space group. The structure consists of one 7439-97-6 atom inside a ReO3 framework. In the ReO3 framework, Re(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent Re(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_Re3HgO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.440
_cell_length_b   7.440
_cell_length_c   3.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   181.641
_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
  Re  Re0  1  0.500  0.500  0.496  1.0
  Re  Re1  1  0.500  0.000  0.496  1.0
  Re  Re2  1  0.000  0.500  0.496  1.0
  Hg  Hg3  1  0.000  0.000  0.744  1.0
  O  O4  1  0.575  0.787  0.502  1.0
  O  O5  1  0.213  0.787  0.502  1.0
  O  O6  1  0.213  0.425  0.502  1.0
  O  O7  1  0.787  0.575  0.502  1.0
  O  O8  1  0.787  0.213  0.502  1.0
  O  O9  1  0.425  0.213  0.502  1.0
  O  O10  1  0.500  0.500  0.998  1.0
  O  O11  1  0.500  0.000  0.998  1.0
  O  O12  1  0.000  0.500  0.998  1.0
[/CIF]
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