The compound described by Hg2Cd2H(SeO5)2 crystallizes in the monoclinic P2/c space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to two equivalent O(5) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(5) atoms. Cd(1) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(2), one O(3), and two equivalent O(5) atoms. H(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cd(1) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Se(1) atom. In the fifth O site, O(5) is bonded to one Hg(1), one Hg(2), and two equivalent Cd(1) atoms to form a mixture of corner and edge-sharing OCd2Hg2 tetrahedra. is represented by the CIF card [CIF]
data_Cd2Hg2H(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   8.126
_cell_length_c   11.882
_cell_angle_alpha   62.269
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.517
_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
  Cd  Cd0  1  0.496  0.756  0.078  1.0
  Cd  Cd1  1  0.504  0.244  0.922  1.0
  Cd  Cd2  1  0.496  0.244  0.422  1.0
  Cd  Cd3  1  0.504  0.756  0.578  1.0
  Hg  Hg4  1  0.281  0.000  0.250  1.0
  Hg  Hg5  1  0.719  0.000  0.750  1.0
  Hg  Hg6  1  0.000  0.000  0.000  1.0
  Hg  Hg7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.297  0.500  0.250  1.0
  H  H9  1  0.703  0.500  0.750  1.0
  Se  Se10  1  0.788  0.666  0.355  1.0
  Se  Se11  1  0.212  0.334  0.645  1.0
  Se  Se12  1  0.788  0.334  0.145  1.0
  Se  Se13  1  0.212  0.666  0.855  1.0
  O  O14  1  0.748  0.563  0.079  1.0
  O  O15  1  0.252  0.437  0.921  1.0
  O  O16  1  0.748  0.437  0.421  1.0
  O  O17  1  0.252  0.563  0.579  1.0
  O  O18  1  0.595  0.781  0.251  1.0
  O  O19  1  0.405  0.219  0.749  1.0
  O  O20  1  0.595  0.219  0.249  1.0
  O  O21  1  0.405  0.781  0.751  1.0
  O  O22  1  0.776  0.735  0.470  1.0
  O  O23  1  0.224  0.265  0.530  1.0
  O  O24  1  0.776  0.265  0.030  1.0
  O  O25  1  0.224  0.735  0.970  1.0
  O  O26  1  0.016  0.727  0.283  1.0
  O  O27  1  0.984  0.273  0.717  1.0
  O  O28  1  0.016  0.273  0.217  1.0
  O  O29  1  0.984  0.727  0.783  1.0
  O  O30  1  0.295  0.991  0.431  1.0
  O  O31  1  0.705  0.009  0.569  1.0
  O  O32  1  0.295  0.009  0.069  1.0
  O  O33  1  0.705  0.991  0.931  1.0
[/CIF]
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The compound described by Hg2Cd2H(SeO5)2 crystallizes in the monoclinic P2/c space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to two equivalent O(5) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(5) atoms. Cd(1) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(2), one O(3), and two equivalent O(5) atoms. H(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cd(1) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Se(1) atom. In the fifth O site, O(5) is bonded to one Hg(1), one Hg(2), and two equivalent Cd(1) atoms to form a mixture of corner and edge-sharing OCd2Hg2 tetrahedra. is represented by the CIF card [CIF]
data_Cd2Hg2H(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   8.126
_cell_length_c   11.882
_cell_angle_alpha   62.269
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.517
_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
  Cd  Cd0  1  0.496  0.756  0.078  1.0
  Cd  Cd1  1  0.504  0.244  0.922  1.0
  Cd  Cd2  1  0.496  0.244  0.422  1.0
  Cd  Cd3  1  0.504  0.756  0.578  1.0
  Hg  Hg4  1  0.281  0.000  0.250  1.0
  Hg  Hg5  1  0.719  0.000  0.750  1.0
  Hg  Hg6  1  0.000  0.000  0.000  1.0
  Hg  Hg7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.297  0.500  0.250  1.0
  H  H9  1  0.703  0.500  0.750  1.0
  Se  Se10  1  0.788  0.666  0.355  1.0
  Se  Se11  1  0.212  0.334  0.645  1.0
  Se  Se12  1  0.788  0.334  0.145  1.0
  Se  Se13  1  0.212  0.666  0.855  1.0
  O  O14  1  0.748  0.563  0.079  1.0
  O  O15  1  0.252  0.437  0.921  1.0
  O  O16  1  0.748  0.437  0.421  1.0
  O  O17  1  0.252  0.563  0.579  1.0
  O  O18  1  0.595  0.781  0.251  1.0
  O  O19  1  0.405  0.219  0.749  1.0
  O  O20  1  0.595  0.219  0.249  1.0
  O  O21  1  0.405  0.781  0.751  1.0
  O  O22  1  0.776  0.735  0.470  1.0
  O  O23  1  0.224  0.265  0.530  1.0
  O  O24  1  0.776  0.265  0.030  1.0
  O  O25  1  0.224  0.735  0.970  1.0
  O  O26  1  0.016  0.727  0.283  1.0
  O  O27  1  0.984  0.273  0.717  1.0
  O  O28  1  0.016  0.273  0.217  1.0
  O  O29  1  0.984  0.727  0.783  1.0
  O  O30  1  0.295  0.991  0.431  1.0
  O  O31  1  0.705  0.009  0.569  1.0
  O  O32  1  0.295  0.009  0.069  1.0
  O  O33  1  0.705  0.991  0.931  1.0
[/CIF]
.