The material described by CuHgSeBr crystallizes in the orthorhombic Pmma space group. Cu(1) is bonded to two equivalent Se(1), one Br(1), and one Br(2) atom to form a mixture of edge and corner-sharing CuSe2Br2 tetrahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Br(1) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent Se(1) atoms. Se(1) is bonded to two equivalent Cu(1), one Hg(1), and one Hg(2) atom to form corner-sharing SeCu2Hg2 trigonal pyramids. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Hg(1) atoms. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuHgSeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   9.823
_cell_length_c   10.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.222
_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  0.000  0.218  0.099  1.0
  Cu  Cu1  1  0.000  0.218  0.401  1.0
  Cu  Cu2  1  0.000  0.782  0.599  1.0
  Cu  Cu3  1  0.000  0.782  0.901  1.0
  Hg  Hg4  1  0.500  0.790  0.250  1.0
  Hg  Hg5  1  0.500  0.500  0.500  1.0
  Hg  Hg6  1  0.500  0.210  0.750  1.0
  Hg  Hg7  1  0.500  0.500  0.000  1.0
  Se  Se8  1  0.500  0.759  0.498  1.0
  Se  Se9  1  0.500  0.241  0.502  1.0
  Se  Se10  1  0.500  0.759  0.002  1.0
  Se  Se11  1  0.500  0.241  0.998  1.0
  Br  Br12  1  0.000  0.978  0.750  1.0
  Br  Br13  1  0.000  0.022  0.250  1.0
  Br  Br14  1  0.000  0.567  0.750  1.0
  Br  Br15  1  0.000  0.433  0.250  1.0
[/CIF]
.
The material described by CuHgSeBr crystallizes in the orthorhombic Pmma space group. Cu(1) is bonded to two equivalent Se(1), one Br(1), and one Br(2) atom to form a mixture of edge and corner-sharing CuSe2Br2 tetrahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Br(1) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent Se(1) atoms. Se(1) is bonded to two equivalent Cu(1), one Hg(1), and one Hg(2) atom to form corner-sharing SeCu2Hg2 trigonal pyramids. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Hg(1) atoms. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CuHgSeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   9.823
_cell_length_c   10.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.222
_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  0.000  0.218  0.099  1.0
  Cu  Cu1  1  0.000  0.218  0.401  1.0
  Cu  Cu2  1  0.000  0.782  0.599  1.0
  Cu  Cu3  1  0.000  0.782  0.901  1.0
  Hg  Hg4  1  0.500  0.790  0.250  1.0
  Hg  Hg5  1  0.500  0.500  0.500  1.0
  Hg  Hg6  1  0.500  0.210  0.750  1.0
  Hg  Hg7  1  0.500  0.500  0.000  1.0
  Se  Se8  1  0.500  0.759  0.498  1.0
  Se  Se9  1  0.500  0.241  0.502  1.0
  Se  Se10  1  0.500  0.759  0.002  1.0
  Se  Se11  1  0.500  0.241  0.998  1.0
  Br  Br12  1  0.000  0.978  0.750  1.0
  Br  Br13  1  0.000  0.022  0.250  1.0
  Br  Br14  1  0.000  0.567  0.750  1.0
  Br  Br15  1  0.000  0.433  0.250  1.0
[/CIF]
.