The compound described by Co2HgO4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Hg(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. O(1) is bonded to three equivalent Co(1) and one Hg(1) atom to form a mixture of distorted edge and corner-sharing OCo3Hg tetrahedra. is represented by the CIF card [CIF]
data_Co2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.371
_cell_length_b   6.192
_cell_length_c   6.373
_cell_angle_alpha   59.030
_cell_angle_beta   90.000
_cell_angle_gamma   120.972
_symmetry_Int_Tables_number   1
_cell_volume   172.444
_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
  Co  Co0  1  0.625  0.250  0.125  1.0
  Co  Co1  1  0.625  0.250  0.625  1.0
  Co  Co2  1  0.625  0.750  0.625  1.0
  Co  Co3  1  0.125  0.750  0.625  1.0
  Hg  Hg4  1  1.000  1.000  0.000  1.0
  Hg  Hg5  1  0.250  0.500  0.250  1.0
  O  O6  1  0.815  0.210  0.395  1.0
  O  O7  1  0.856  0.291  0.854  1.0
  O  O8  1  0.854  0.709  0.435  1.0
  O  O9  1  0.394  0.209  0.396  1.0
  O  O10  1  0.396  0.791  0.394  1.0
  O  O11  1  0.435  0.290  0.855  1.0
  O  O12  1  0.854  0.709  0.856  1.0
  O  O13  1  0.396  0.791  0.815  1.0
[/CIF]
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The compound described by Co2HgO4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Hg(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. O(1) is bonded to three equivalent Co(1) and one Hg(1) atom to form a mixture of distorted edge and corner-sharing OCo3Hg tetrahedra. is represented by the CIF card [CIF]
data_Co2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.371
_cell_length_b   6.192
_cell_length_c   6.373
_cell_angle_alpha   59.030
_cell_angle_beta   90.000
_cell_angle_gamma   120.972
_symmetry_Int_Tables_number   1
_cell_volume   172.444
_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
  Co  Co0  1  0.625  0.250  0.125  1.0
  Co  Co1  1  0.625  0.250  0.625  1.0
  Co  Co2  1  0.625  0.750  0.625  1.0
  Co  Co3  1  0.125  0.750  0.625  1.0
  Hg  Hg4  1  1.000  1.000  0.000  1.0
  Hg  Hg5  1  0.250  0.500  0.250  1.0
  O  O6  1  0.815  0.210  0.395  1.0
  O  O7  1  0.856  0.291  0.854  1.0
  O  O8  1  0.854  0.709  0.435  1.0
  O  O9  1  0.394  0.209  0.396  1.0
  O  O10  1  0.396  0.791  0.394  1.0
  O  O11  1  0.435  0.290  0.855  1.0
  O  O12  1  0.854  0.709  0.856  1.0
  O  O13  1  0.396  0.791  0.815  1.0
[/CIF]
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