The structure described by HgGa2O4 crystallizes in the orthorhombic Pnma space group. Hg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Ga site, Ga(2) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Hg(1), one Ga(2), and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded to two equivalent Hg(1) and three equivalent Ga(2) atoms to form a mixture of distorted edge and corner-sharing OGa3Hg2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Hg(1) and three equivalent Ga(1) atoms to form a mixture of distorted edge and corner-sharing OGa3Hg2 square pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Hg(1), one Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ga2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.026
_cell_length_b   9.321
_cell_length_c   10.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.176
_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
  Ga  Ga0  1  0.750  0.081  0.606  1.0
  Ga  Ga1  1  0.750  0.068  0.112  1.0
  Ga  Ga2  1  0.250  0.432  0.612  1.0
  Ga  Ga3  1  0.250  0.419  0.106  1.0
  Ga  Ga4  1  0.750  0.581  0.894  1.0
  Ga  Ga5  1  0.750  0.568  0.388  1.0
  Ga  Ga6  1  0.250  0.932  0.888  1.0
  Ga  Ga7  1  0.250  0.919  0.394  1.0
  Hg  Hg8  1  0.750  0.243  0.347  1.0
  Hg  Hg9  1  0.250  0.257  0.847  1.0
  Hg  Hg10  1  0.750  0.743  0.153  1.0
  Hg  Hg11  1  0.250  0.757  0.653  1.0
  O  O12  1  0.250  0.023  0.715  1.0
  O  O13  1  0.750  0.075  0.929  1.0
  O  O14  1  0.250  0.112  0.482  1.0
  O  O15  1  0.250  0.206  0.150  1.0
  O  O16  1  0.750  0.294  0.650  1.0
  O  O17  1  0.750  0.388  0.982  1.0
  O  O18  1  0.250  0.425  0.429  1.0
  O  O19  1  0.750  0.477  0.215  1.0
  O  O20  1  0.250  0.523  0.785  1.0
  O  O21  1  0.750  0.575  0.571  1.0
  O  O22  1  0.250  0.612  0.018  1.0
  O  O23  1  0.250  0.706  0.350  1.0
  O  O24  1  0.750  0.794  0.850  1.0
  O  O25  1  0.750  0.888  0.518  1.0
  O  O26  1  0.250  0.925  0.071  1.0
  O  O27  1  0.750  0.977  0.285  1.0
[/CIF]
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The structure described by HgGa2O4 crystallizes in the orthorhombic Pnma space group. Hg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Ga site, Ga(2) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Hg(1), one Ga(2), and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded to two equivalent Hg(1) and three equivalent Ga(2) atoms to form a mixture of distorted edge and corner-sharing OGa3Hg2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Hg(1) and three equivalent Ga(1) atoms to form a mixture of distorted edge and corner-sharing OGa3Hg2 square pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Hg(1), one Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ga2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.026
_cell_length_b   9.321
_cell_length_c   10.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.176
_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
  Ga  Ga0  1  0.750  0.081  0.606  1.0
  Ga  Ga1  1  0.750  0.068  0.112  1.0
  Ga  Ga2  1  0.250  0.432  0.612  1.0
  Ga  Ga3  1  0.250  0.419  0.106  1.0
  Ga  Ga4  1  0.750  0.581  0.894  1.0
  Ga  Ga5  1  0.750  0.568  0.388  1.0
  Ga  Ga6  1  0.250  0.932  0.888  1.0
  Ga  Ga7  1  0.250  0.919  0.394  1.0
  Hg  Hg8  1  0.750  0.243  0.347  1.0
  Hg  Hg9  1  0.250  0.257  0.847  1.0
  Hg  Hg10  1  0.750  0.743  0.153  1.0
  Hg  Hg11  1  0.250  0.757  0.653  1.0
  O  O12  1  0.250  0.023  0.715  1.0
  O  O13  1  0.750  0.075  0.929  1.0
  O  O14  1  0.250  0.112  0.482  1.0
  O  O15  1  0.250  0.206  0.150  1.0
  O  O16  1  0.750  0.294  0.650  1.0
  O  O17  1  0.750  0.388  0.982  1.0
  O  O18  1  0.250  0.425  0.429  1.0
  O  O19  1  0.750  0.477  0.215  1.0
  O  O20  1  0.250  0.523  0.785  1.0
  O  O21  1  0.750  0.575  0.571  1.0
  O  O22  1  0.250  0.612  0.018  1.0
  O  O23  1  0.250  0.706  0.350  1.0
  O  O24  1  0.750  0.794  0.850  1.0
  O  O25  1  0.750  0.888  0.518  1.0
  O  O26  1  0.250  0.925  0.071  1.0
  O  O27  1  0.750  0.977  0.285  1.0
[/CIF]
.