The material structure described by Hg2CdSO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one O(2) and one O(5) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one O(2) and one O(5) atom. Cd(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CdO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and  an edgeedge with one Cd(1)O6 octahedra. S(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the second O site, O(2) is bonded to one Hg(1), one Hg(2), and two equivalent Cd(1) atoms to form edge-sharing OCd2Hg2 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Hg(1), one Hg(2), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF file [CIF]
data_CdHg2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.885
_cell_length_b   7.375
_cell_length_c   7.576
_cell_angle_alpha   73.028
_cell_angle_beta   66.893
_cell_angle_gamma   63.578
_symmetry_Int_Tables_number   1
_cell_volume   313.647
_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  0.669  0.870  0.776  1.0
  Cd  Cd1  1  0.331  0.130  0.224  1.0
  Hg  Hg2  1  0.157  0.360  0.783  1.0
  Hg  Hg3  1  0.341  0.636  0.218  1.0
  Hg  Hg4  1  0.659  0.363  0.782  1.0
  Hg  Hg5  1  0.843  0.640  0.217  1.0
  S  S6  1  0.208  0.864  0.695  1.0
  S  S7  1  0.792  0.136  0.305  1.0
  O  O8  1  0.031  0.111  0.178  1.0
  O  O9  1  0.969  0.889  0.822  1.0
  O  O10  1  0.549  0.802  0.136  1.0
  O  O11  1  0.341  0.825  0.827  1.0
  O  O12  1  0.451  0.198  0.864  1.0
  O  O13  1  0.796  0.939  0.438  1.0
  O  O14  1  0.851  0.531  0.733  1.0
  O  O15  1  0.204  0.061  0.562  1.0
  O  O16  1  0.149  0.469  0.267  1.0
  O  O17  1  0.690  0.309  0.415  1.0
  O  O18  1  0.310  0.691  0.585  1.0
  O  O19  1  0.659  0.175  0.173  1.0
[/CIF]
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The material structure described by Hg2CdSO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one O(2) and one O(5) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one O(2) and one O(5) atom. Cd(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CdO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and  an edgeedge with one Cd(1)O6 octahedra. S(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the second O site, O(2) is bonded to one Hg(1), one Hg(2), and two equivalent Cd(1) atoms to form edge-sharing OCd2Hg2 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Hg(1), one Hg(2), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF file [CIF]
data_CdHg2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.885
_cell_length_b   7.375
_cell_length_c   7.576
_cell_angle_alpha   73.028
_cell_angle_beta   66.893
_cell_angle_gamma   63.578
_symmetry_Int_Tables_number   1
_cell_volume   313.647
_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  0.669  0.870  0.776  1.0
  Cd  Cd1  1  0.331  0.130  0.224  1.0
  Hg  Hg2  1  0.157  0.360  0.783  1.0
  Hg  Hg3  1  0.341  0.636  0.218  1.0
  Hg  Hg4  1  0.659  0.363  0.782  1.0
  Hg  Hg5  1  0.843  0.640  0.217  1.0
  S  S6  1  0.208  0.864  0.695  1.0
  S  S7  1  0.792  0.136  0.305  1.0
  O  O8  1  0.031  0.111  0.178  1.0
  O  O9  1  0.969  0.889  0.822  1.0
  O  O10  1  0.549  0.802  0.136  1.0
  O  O11  1  0.341  0.825  0.827  1.0
  O  O12  1  0.451  0.198  0.864  1.0
  O  O13  1  0.796  0.939  0.438  1.0
  O  O14  1  0.851  0.531  0.733  1.0
  O  O15  1  0.204  0.061  0.562  1.0
  O  O16  1  0.149  0.469  0.267  1.0
  O  O17  1  0.690  0.309  0.415  1.0
  O  O18  1  0.310  0.691  0.585  1.0
  O  O19  1  0.659  0.175  0.173  1.0
[/CIF]
.