The structure described by CuHgSeCl crystallizes in the orthorhombic Pbam space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing CuSe2Cl2 trigonal pyramids. Hg(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Se(1) is bonded to two equivalent Cu(1) and two equivalent Hg(1) atoms to form corner-sharing SeCu2Hg2 trigonal pyramids. Cl(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuHgSeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   7.174
_cell_length_c   13.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.191
_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
  Cu  Cu0  1  0.500  0.751  0.458  1.0
  Cu  Cu1  1  0.500  0.251  0.042  1.0
  Cu  Cu2  1  0.500  0.249  0.542  1.0
  Cu  Cu3  1  0.500  0.749  0.958  1.0
  Hg  Hg4  1  0.000  0.606  0.237  1.0
  Hg  Hg5  1  0.000  0.106  0.263  1.0
  Hg  Hg6  1  0.000  0.394  0.763  1.0
  Hg  Hg7  1  0.000  0.894  0.737  1.0
  Se  Se8  1  0.000  0.832  0.389  1.0
  Se  Se9  1  0.000  0.668  0.889  1.0
  Se  Se10  1  0.000  0.168  0.611  1.0
  Se  Se11  1  0.000  0.332  0.111  1.0
  Cl  Cl12  1  0.500  0.853  0.119  1.0
  Cl  Cl13  1  0.500  0.353  0.381  1.0
  Cl  Cl14  1  0.500  0.147  0.881  1.0
  Cl  Cl15  1  0.500  0.647  0.619  1.0
[/CIF]
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The structure described by CuHgSeCl crystallizes in the orthorhombic Pbam space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing CuSe2Cl2 trigonal pyramids. Hg(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Se(1) is bonded to two equivalent Cu(1) and two equivalent Hg(1) atoms to form corner-sharing SeCu2Hg2 trigonal pyramids. Cl(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuHgSeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   7.174
_cell_length_c   13.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.191
_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
  Cu  Cu0  1  0.500  0.751  0.458  1.0
  Cu  Cu1  1  0.500  0.251  0.042  1.0
  Cu  Cu2  1  0.500  0.249  0.542  1.0
  Cu  Cu3  1  0.500  0.749  0.958  1.0
  Hg  Hg4  1  0.000  0.606  0.237  1.0
  Hg  Hg5  1  0.000  0.106  0.263  1.0
  Hg  Hg6  1  0.000  0.394  0.763  1.0
  Hg  Hg7  1  0.000  0.894  0.737  1.0
  Se  Se8  1  0.000  0.832  0.389  1.0
  Se  Se9  1  0.000  0.668  0.889  1.0
  Se  Se10  1  0.000  0.168  0.611  1.0
  Se  Se11  1  0.000  0.332  0.111  1.0
  Cl  Cl12  1  0.500  0.853  0.119  1.0
  Cl  Cl13  1  0.500  0.353  0.381  1.0
  Cl  Cl14  1  0.500  0.147  0.881  1.0
  Cl  Cl15  1  0.500  0.647  0.619  1.0
[/CIF]
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