The crystal structure described by Hg6Se4Br3Br crystallizes in the monoclinic C2/m space group. The structure consists of four hydrogen bromide atoms inside a Hg6Se4Br3 framework. In the Hg6Se4Br3 framework, there are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to one Se(1), one Se(2), one Br(3), and one Br(4) atom. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to two equivalent Se(2) and two equivalent Br(2) atoms. In the third Hg site, Hg(3) is bonded in a distorted linear geometry to two equivalent Se(1) and two equivalent Br(2) atoms. In the fourth Hg site, Hg(4) is bonded in a T-shaped geometry to two equivalent Se(1) and one Br(4) atom. In the fifth Hg site, Hg(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Se(2), one Br(3), and one Br(4) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Hg(1), one Hg(3), and one Hg(4) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Hg(1), one Hg(2), and one Hg(5) atom. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Hg(2) and two equivalent Hg(3) atoms. In the second Br site, Br(3) is bonded in a distorted trigonal planar geometry to one Hg(5) and two equivalent Hg(1) atoms. In the third Br site, Br(4) is bonded in a 4-coordinate geometry to one Hg(4), one Hg(5), and two equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3(SeBr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.157
_cell_length_b   10.157
_cell_length_c   9.930
_cell_angle_alpha   89.459
_cell_angle_beta   89.459
_cell_angle_gamma   55.934
_symmetry_Int_Tables_number   1
_cell_volume   848.549
_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
  Hg  Hg0  1  0.652  0.103  0.204  1.0
  Hg  Hg1  1  0.897  0.348  0.796  1.0
  Hg  Hg2  1  0.348  0.897  0.796  1.0
  Hg  Hg3  1  0.103  0.652  0.204  1.0
  Hg  Hg4  1  0.500  0.000  0.500  1.0
  Hg  Hg5  1  0.000  0.500  0.500  1.0
  Hg  Hg6  1  0.764  0.236  0.500  1.0
  Hg  Hg7  1  0.236  0.764  0.500  1.0
  Hg  Hg8  1  0.474  0.474  0.770  1.0
  Hg  Hg9  1  0.526  0.526  0.230  1.0
  Hg  Hg10  1  0.770  0.770  0.785  1.0
  Hg  Hg11  1  0.230  0.230  0.215  1.0
  Se  Se12  1  0.747  0.218  0.754  1.0
  Se  Se13  1  0.218  0.747  0.754  1.0
  Se  Se14  1  0.253  0.782  0.246  1.0
  Se  Se15  1  0.973  0.500  0.246  1.0
  Se  Se16  1  0.500  0.027  0.754  1.0
  Se  Se17  1  0.027  0.500  0.754  1.0
  Se  Se18  1  0.500  0.973  0.246  1.0
  Se  Se19  1  0.782  0.253  0.246  1.0
  Br  Br20  1  0.623  0.623  0.517  1.0
  Br  Br21  1  0.127  0.127  0.523  1.0
  Br  Br22  1  0.873  0.873  0.477  1.0
  Br  Br23  1  0.121  0.121  0.993  1.0
  Br  Br24  1  0.879  0.879  0.007  1.0
  Br  Br25  1  0.378  0.378  0.027  1.0
  Br  Br26  1  0.622  0.622  0.973  1.0
  Br  Br27  1  0.377  0.377  0.483  1.0
[/CIF]
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The crystal structure described by Hg6Se4Br3Br crystallizes in the monoclinic C2/m space group. The structure consists of four hydrogen bromide atoms inside a Hg6Se4Br3 framework. In the Hg6Se4Br3 framework, there are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to one Se(1), one Se(2), one Br(3), and one Br(4) atom. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to two equivalent Se(2) and two equivalent Br(2) atoms. In the third Hg site, Hg(3) is bonded in a distorted linear geometry to two equivalent Se(1) and two equivalent Br(2) atoms. In the fourth Hg site, Hg(4) is bonded in a T-shaped geometry to two equivalent Se(1) and one Br(4) atom. In the fifth Hg site, Hg(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Se(2), one Br(3), and one Br(4) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Hg(1), one Hg(3), and one Hg(4) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Hg(1), one Hg(2), and one Hg(5) atom. There are three inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Hg(2) and two equivalent Hg(3) atoms. In the second Br site, Br(3) is bonded in a distorted trigonal planar geometry to one Hg(5) and two equivalent Hg(1) atoms. In the third Br site, Br(4) is bonded in a 4-coordinate geometry to one Hg(4), one Hg(5), and two equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3(SeBr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.157
_cell_length_b   10.157
_cell_length_c   9.930
_cell_angle_alpha   89.459
_cell_angle_beta   89.459
_cell_angle_gamma   55.934
_symmetry_Int_Tables_number   1
_cell_volume   848.549
_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
  Hg  Hg0  1  0.652  0.103  0.204  1.0
  Hg  Hg1  1  0.897  0.348  0.796  1.0
  Hg  Hg2  1  0.348  0.897  0.796  1.0
  Hg  Hg3  1  0.103  0.652  0.204  1.0
  Hg  Hg4  1  0.500  0.000  0.500  1.0
  Hg  Hg5  1  0.000  0.500  0.500  1.0
  Hg  Hg6  1  0.764  0.236  0.500  1.0
  Hg  Hg7  1  0.236  0.764  0.500  1.0
  Hg  Hg8  1  0.474  0.474  0.770  1.0
  Hg  Hg9  1  0.526  0.526  0.230  1.0
  Hg  Hg10  1  0.770  0.770  0.785  1.0
  Hg  Hg11  1  0.230  0.230  0.215  1.0
  Se  Se12  1  0.747  0.218  0.754  1.0
  Se  Se13  1  0.218  0.747  0.754  1.0
  Se  Se14  1  0.253  0.782  0.246  1.0
  Se  Se15  1  0.973  0.500  0.246  1.0
  Se  Se16  1  0.500  0.027  0.754  1.0
  Se  Se17  1  0.027  0.500  0.754  1.0
  Se  Se18  1  0.500  0.973  0.246  1.0
  Se  Se19  1  0.782  0.253  0.246  1.0
  Br  Br20  1  0.623  0.623  0.517  1.0
  Br  Br21  1  0.127  0.127  0.523  1.0
  Br  Br22  1  0.873  0.873  0.477  1.0
  Br  Br23  1  0.121  0.121  0.993  1.0
  Br  Br24  1  0.879  0.879  0.007  1.0
  Br  Br25  1  0.378  0.378  0.027  1.0
  Br  Br26  1  0.622  0.622  0.973  1.0
  Br  Br27  1  0.377  0.377  0.483  1.0
[/CIF]
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