The material structure described by Co2HgO4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Co(2), two equivalent Co(1), one Hg(1), and one Hg(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Hg(2) atom. In the third O site, O(3) is bonded to one Co(1), two equivalent Co(2), and one Hg(1) atom to form corner-sharing OCo3Hg trigonal pyramids. is represented by the CIF file [CIF]
data_Co2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.848
_cell_length_b   5.607
_cell_length_c   11.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.830
_cell_formula_units_Z   4
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  0.503  0.000  0.755  1.0
  Co  Co1  1  0.497  0.500  0.745  1.0
  Co  Co2  1  0.503  0.000  0.245  1.0
  Co  Co3  1  0.497  0.500  0.255  1.0
  Co  Co4  1  0.000  0.750  0.750  1.0
  Co  Co5  1  0.000  0.750  0.250  1.0
  Co  Co6  1  0.000  0.250  0.750  1.0
  Co  Co7  1  0.000  0.250  0.250  1.0
  Hg  Hg8  1  0.574  0.500  0.000  1.0
  Hg  Hg9  1  0.879  0.500  0.500  1.0
  Hg  Hg10  1  0.121  0.000  0.000  1.0
  Hg  Hg11  1  0.426  0.000  0.500  1.0
  O  O12  1  0.667  0.749  0.661  1.0
  O  O13  1  0.667  0.749  0.339  1.0
  O  O14  1  0.667  0.251  0.339  1.0
  O  O15  1  0.667  0.251  0.661  1.0
  O  O16  1  0.844  0.000  0.837  1.0
  O  O17  1  0.844  0.000  0.163  1.0
  O  O18  1  0.825  0.500  0.833  1.0
  O  O19  1  0.825  0.500  0.167  1.0
  O  O20  1  0.175  0.000  0.333  1.0
  O  O21  1  0.175  0.000  0.667  1.0
  O  O22  1  0.156  0.500  0.337  1.0
  O  O23  1  0.156  0.500  0.663  1.0
  O  O24  1  0.333  0.751  0.839  1.0
  O  O25  1  0.333  0.751  0.161  1.0
  O  O26  1  0.333  0.249  0.839  1.0
  O  O27  1  0.333  0.249  0.161  1.0
[/CIF]
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The material structure described by Co2HgO4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Co(2), two equivalent Co(1), one Hg(1), and one Hg(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Hg(2) atom. In the third O site, O(3) is bonded to one Co(1), two equivalent Co(2), and one Hg(1) atom to form corner-sharing OCo3Hg trigonal pyramids. is represented by the CIF file [CIF]
data_Co2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.848
_cell_length_b   5.607
_cell_length_c   11.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.830
_cell_formula_units_Z   4
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  0.503  0.000  0.755  1.0
  Co  Co1  1  0.497  0.500  0.745  1.0
  Co  Co2  1  0.503  0.000  0.245  1.0
  Co  Co3  1  0.497  0.500  0.255  1.0
  Co  Co4  1  0.000  0.750  0.750  1.0
  Co  Co5  1  0.000  0.750  0.250  1.0
  Co  Co6  1  0.000  0.250  0.750  1.0
  Co  Co7  1  0.000  0.250  0.250  1.0
  Hg  Hg8  1  0.574  0.500  0.000  1.0
  Hg  Hg9  1  0.879  0.500  0.500  1.0
  Hg  Hg10  1  0.121  0.000  0.000  1.0
  Hg  Hg11  1  0.426  0.000  0.500  1.0
  O  O12  1  0.667  0.749  0.661  1.0
  O  O13  1  0.667  0.749  0.339  1.0
  O  O14  1  0.667  0.251  0.339  1.0
  O  O15  1  0.667  0.251  0.661  1.0
  O  O16  1  0.844  0.000  0.837  1.0
  O  O17  1  0.844  0.000  0.163  1.0
  O  O18  1  0.825  0.500  0.833  1.0
  O  O19  1  0.825  0.500  0.167  1.0
  O  O20  1  0.175  0.000  0.333  1.0
  O  O21  1  0.175  0.000  0.667  1.0
  O  O22  1  0.156  0.500  0.337  1.0
  O  O23  1  0.156  0.500  0.663  1.0
  O  O24  1  0.333  0.751  0.839  1.0
  O  O25  1  0.333  0.751  0.161  1.0
  O  O26  1  0.333  0.249  0.839  1.0
  O  O27  1  0.333  0.249  0.161  1.0
[/CIF]
.