The material structure described by CdHg(SCN)4 crystallizes in the tetragonal I-4 space group. Hg(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. Cd(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a linear geometry to one Cd(1) and one C(1) atom. S(1) is bonded in a water-like geometry to one Hg(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CdHgC4(SN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.591
_cell_length_b   8.591
_cell_length_c   8.591
_cell_angle_alpha   93.984
_cell_angle_beta   93.984
_cell_angle_gamma   149.433
_symmetry_Int_Tables_number   1
_cell_volume   311.094
_cell_formula_units_Z   1
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  0.250  0.750  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.950  0.137  0.345  1.0
  C  C3  1  0.863  0.208  0.814  1.0
  C  C4  1  0.792  0.606  0.655  1.0
  C  C5  1  0.394  0.050  0.186  1.0
  S  S6  1  0.448  0.177  0.028  1.0
  S  S7  1  0.149  0.420  0.972  1.0
  S  S8  1  0.823  0.851  0.271  1.0
  S  S9  1  0.580  0.552  0.729  1.0
  N  N10  1  0.364  0.962  0.300  1.0
  N  N11  1  0.038  0.338  0.402  1.0
  N  N12  1  0.662  0.064  0.700  1.0
  N  N13  1  0.936  0.636  0.598  1.0
[/CIF]
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The material structure described by CdHg(SCN)4 crystallizes in the tetragonal I-4 space group. Hg(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. Cd(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a linear geometry to one Cd(1) and one C(1) atom. S(1) is bonded in a water-like geometry to one Hg(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CdHgC4(SN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.591
_cell_length_b   8.591
_cell_length_c   8.591
_cell_angle_alpha   93.984
_cell_angle_beta   93.984
_cell_angle_gamma   149.433
_symmetry_Int_Tables_number   1
_cell_volume   311.094
_cell_formula_units_Z   1
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  0.250  0.750  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.950  0.137  0.345  1.0
  C  C3  1  0.863  0.208  0.814  1.0
  C  C4  1  0.792  0.606  0.655  1.0
  C  C5  1  0.394  0.050  0.186  1.0
  S  S6  1  0.448  0.177  0.028  1.0
  S  S7  1  0.149  0.420  0.972  1.0
  S  S8  1  0.823  0.851  0.271  1.0
  S  S9  1  0.580  0.552  0.729  1.0
  N  N10  1  0.364  0.962  0.300  1.0
  N  N11  1  0.038  0.338  0.402  1.0
  N  N12  1  0.662  0.064  0.700  1.0
  N  N13  1  0.936  0.636  0.598  1.0
[/CIF]
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