The material structure described by Fe2HgO4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Hg(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. O(1) is bonded to three equivalent Fe(1) and one Hg(1) atom to form a mixture of corner and edge-sharing OFe3Hg tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.308
_cell_length_b   6.296
_cell_length_c   6.312
_cell_angle_alpha   60.046
_cell_angle_beta   120.177
_cell_angle_gamma   119.893
_symmetry_Int_Tables_number   1
_cell_volume   177.214
_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
  Fe  Fe0  1  0.000  0.500  1.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  1.000  1.000  0.500  1.0
  Fe  Fe3  1  1.000  0.500  0.500  1.0
  Hg  Hg4  1  0.375  0.125  0.125  1.0
  Hg  Hg5  1  0.625  0.875  0.875  1.0
  O  O6  1  0.810  0.270  0.269  1.0
  O  O7  1  0.231  0.271  0.690  1.0
  O  O8  1  0.229  0.269  0.270  1.0
  O  O9  1  0.230  0.690  0.271  1.0
  O  O10  1  0.771  0.310  0.729  1.0
  O  O11  1  0.771  0.731  0.729  1.0
  O  O12  1  0.190  0.729  0.731  1.0
  O  O13  1  0.769  0.729  0.310  1.0
[/CIF]
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The material structure described by Fe2HgO4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Hg(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. O(1) is bonded to three equivalent Fe(1) and one Hg(1) atom to form a mixture of corner and edge-sharing OFe3Hg tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.308
_cell_length_b   6.296
_cell_length_c   6.312
_cell_angle_alpha   60.046
_cell_angle_beta   120.177
_cell_angle_gamma   119.893
_symmetry_Int_Tables_number   1
_cell_volume   177.214
_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
  Fe  Fe0  1  0.000  0.500  1.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  1.000  1.000  0.500  1.0
  Fe  Fe3  1  1.000  0.500  0.500  1.0
  Hg  Hg4  1  0.375  0.125  0.125  1.0
  Hg  Hg5  1  0.625  0.875  0.875  1.0
  O  O6  1  0.810  0.270  0.269  1.0
  O  O7  1  0.231  0.271  0.690  1.0
  O  O8  1  0.229  0.269  0.270  1.0
  O  O9  1  0.230  0.690  0.271  1.0
  O  O10  1  0.771  0.310  0.729  1.0
  O  O11  1  0.771  0.731  0.729  1.0
  O  O12  1  0.190  0.729  0.731  1.0
  O  O13  1  0.769  0.729  0.310  1.0
[/CIF]
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